Quaternary ammonium salts

Description:

Compounds containing positively charged polyatomic ion of the structure NR4+, R being an alkyl group or an aryl group.

Ancestors:

Organic compounds ⮕ Organic nitrogen compounds ⮕ Organonitrogen compounds ⮕ Quaternary ammonium salts

2,2-difluorocyclopentan-1-amine hydrochloride
- ≥97%
Cas Number: 921599-70-4 Compound CID: 71656097

Formula: C₅H₁₀ClF₂N Molecular Weight: 157.59

SMILES: C1CC(C(C1)(F)F)N.Cl

InChIKey: NKKPWPHIGLLMRF-UHFFFAOYSA-N

InChI: InChI=1S/C5H9F2N.ClH/c6-5(7)3-1-2-4(5)8;/h4H,1-3,8H2;1H
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Choline chloride C-11
Cas Number: 87591-54-6

Formula: C₅H₁₄ClNO Molecular Weight: 138.62

IUPAC Name: 2-hydroxyethyl-dimethyl-(111C)methylazanium;chloride

SMILES: C[N+](C)(C)CCO.[Cl-]

InChIKey: SGMZJAMFUVOLNK-ULWFUOSBSA-M

InChI: InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1/i1-1;

Synonyms: Choline chloride C-11 | Choline (11C) | 381E0BTR5Q | EN300-7604188 | CHEMBL2095207 | [N-methyl-(11)C]choline chloride...

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Hexafluronium
Cas Number: 4844-10-4 Compound CID: 3601

Formula: C₃₆H₄₂N₂⁺2 Molecular Weight: 502.7

IUPAC Name: 9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium

SMILES: C[N+](C)(CCCCCC[N+](C)(C)C1C2=CC=CC=C2C3=CC=CC=C13)C4C5=CC=CC=C5C6=CC=CC=C46

InChIKey: HDZAQYPYABGTCL-UHFFFAOYSA-N

InChI: InChI=1S/C36H42N2/c1-37(2,35-31-21-11-7-17-27(31)28-18-8-12-22-32(28)35)25-15-5-6-16-26-38(3,4)36-33-23-13-9-19-29(33)30-20-10-14-24-34(30)36/h7-14,17show more

Synonyms: Hexafluronium | hexafluorenium | Hexafluorenium ion | Hexafluorenium cation | 1,6-Hexanediaminium, N,N'-di-9H-fluoren...

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Aclatonium
Cas Number: 55077-25-3

Formula: C₁₀H₂₀NO₄⁺ Molecular Weight: 218.27

IUPAC Name: 2-(2-acetyloxypropanoyloxy)ethyl-trimethylazanium

SMILES: CC(C(=O)OCC[N+](C)(C)C)OC(=O)C

InChIKey: SRZGFCNCQUMTCP-UHFFFAOYSA-N

InChI: InChI=1S/C10H20NO4/c1-8(15-9(2)12)10(13)14-7-6-11(3,4)5/h8H,6-7H2,1-5H3/q+1

Synonyms: Aclatonium | Choline lactate, acetate | Aclatonium ion | Aclatonium cation | UNII-UC6I41G62N | UC6I41G62N | 2-(2-(Ace...

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Tetramethylammonium
Cas Number: 51-92-3 Compound CID: 6380

Formula: C₄H₁₂N⁺ Molecular Weight: 74.14

IUPAC Name: tetramethylazanium

SMILES: C[N+](C)(C)C

InChIKey: QEMXHQIAXOOASZ-UHFFFAOYSA-N

InChI: InChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1

Synonyms: Tetramethylammonium | tetramethylazanium | TETRAMETHYLAMMONIUM ION | N,N,N-trimethylmethanaminium | Methanaminium, N,...

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5-bromo-4-chloro-3-indoxyl choline phosphate
- ≥98%
Cas Number: 439809-43-5 Compound CID: 10273073

IUPAC Name: (5-bromo-4-chloro-1H-indol-3-yl) 2-(trimethylazaniumyl)ethyl phosphate

SMILES: C[N+](C)(C)CCOP(=O)([O-])OC1=CNC2=C1C(=C(C=C2)Br)Cl

InChIKey: BFXURLIMPJNXOL-UHFFFAOYSA-N

InChI: InChI=1S/C13H17BrClN2O4P/c1-17(2,3)6-7-20-22(18,19)21-11-8-16-10-5-4-9(14)13(15)12(10)11/h4-5,8,16H,6-7H2,1-3H3
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Choline-d4 Chloride
- ≥99%,≥98 atom% D
Cas Number: 285979-70-6 Compound CID: 71309026

Formula: C₅H₁₀D₄ClNO Molecular Weight: 143.65

IUPAC Name: trimethyl-(1,1,2,2-tetradeuterio-2-hydroxyethyl)azanium;chloride

SMILES: [Cl-].[2H]C([2H])(O)C([2H])([2H])[N+](C)(C)C

InChIKey: SGMZJAMFUVOLNK-HGFPCDIYSA-M

InChI: InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1/i4D2,5D2;

Synonyms: Choline-1,1,2,2-d4 Chloride
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Phosphorylcholine
- ≥98%
Cas Number: 3616-04-4 Compound CID: 1014

Formula: C₅H₁₄NO₄P Molecular Weight: 183.14

SMILES: C[N+](C)(C)CCOP(=O)(O)O
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Iptakalim hydrochloride
- ≥98%
Cas Number: 642407-63-4 Compound CID: 11446679

Formula: C₉H₂₂ClN Molecular Weight: 179.73

SMILES: CC(C)C(C)(C)NC(C)C.Cl
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Acetylcholine-d4chloride
- ≥99%
Cas Number: 344298-94-8

Formula: C₇H₁₂D₄NO₂.Cl Molecular Weight: 185.68

IUPAC Name: (2-acetyloxy-1,1,2,2-tetradeuterioethyl)-trimethylazanium;chloride

SMILES: CC(=O)OCC[N+](C)(C)C.[Cl-]

InChIKey: JUGOREOARAHOCO-NXMSQKFDSA-M

InChI: InChI=1S/C7H16NO2.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1/i5D2,6D2;
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Decamethoxine
Cas Number: 38146-42-8 Compound CID: 162290

Formula: C₃₈H₇₄Cl₂N₂O₄ Molecular Weight: 693.9

IUPAC Name: 10-[dimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]azaniumyl]decyl-dimethyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]azanium;show more

SMILES: CC1CCC(C(C1)OC(=O)C[N+](C)(C)CCCCCCCCCC[N+](C)(C)CC(=O)OC2CC(CCC2C(C)C)C)C(C)C.[Cl-].[Cl-]

InChIKey: LRQIWRXCHWNNEA-UHFFFAOYSA-L

InChI: InChI=1S/C38H74N2O4.2ClH/c1-29(2)33-21-19-31(5)25-35(33)43-37(41)27-39(7,8)23-17-15-13-11-12-14-16-18-24-40(9,10)28-38(42)44-36-26-32(6)20-22-34(36)30show more

Synonyms: A873917 | N~1~,N~1~,N~10~,N~10~-Tetramethyl-N~1~,N~10~-bis(2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)dec...

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Choline chloride
- ≥99%
Cas Number: 67-48-1 EC Number: 200-655-4

Formula: C₅H₁₄ClNO Molecular Weight: 139.62

IUPAC Name: 2-hydroxyethyl(trimethyl)azanium;chloride

SMILES: C[N+](C)(C)CCO.[Cl-]

InChIKey: SGMZJAMFUVOLNK-UHFFFAOYSA-M

InChI: InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1

Synonyms: (2-Hydroxyethyl)trimethylammonium chloride
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