Pyridinium derivatives

Description:

Compounds containing a pyridinium ring, which is the cationic form of pyridine.

Ancestors:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Pyridines and derivatives ⮕ Pyridinium derivatives

Cetylpyridinium bromide monohydrate
- ≥98%
Cas Number: 202869-92-9 Compound CID: 16211806

Formula: C₂₁H₃₈BrN · xH₂O Molecular Weight: 384.44

IUPAC Name: 1-hexadecylpyridin-1-ium;bromide;hydrate

SMILES: CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.O.[Br-]

InChIKey: HVWZDJSNXREVCK-UHFFFAOYSA-M

InChI: InChI=1S/C21H38N.BrH.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H;1H2/q+1;;/p-1
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Pyridinium， 1-[12-[(2-methyl-1-oxo-2-propen-1-yl)oxy]dodecyl]-， bromide (1:1)
- ≥95%
Cas Number: 148753-80-4 Compound CID: 9887877

Formula: C₂₁H₃₄BrNO₂ Molecular Weight: 412.4

IUPAC Name: 12-pyridin-1-ium-1-yldodecyl 2-methylprop-2-enoate;bromide

SMILES: CC(=C)C(=O)OCCCCCCCCCCCC[N+]1=CC=CC=C1.[Br-]

InChIKey: NGRNLZCYRVFRFP-UHFFFAOYSA-M

InChI: InChI=1S/C21H34NO2.BrH/c1-20(2)21(23)24-19-15-10-8-6-4-3-5-7-9-12-16-22-17-13-11-14-18-22;/h11,13-14,17-18H,1,3-10,12,15-16,19H2,2H3;1H/q+1;/p-1
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N-Butylpyridinium Trifluoromethanesulfonate
- ≥98%
Cas Number: 390423-43-5 Compound CID: 2734248

Formula: C₁₀H₁₄F₃NO₃S Molecular Weight: 285.29

IUPAC Name: 1-butylpyridin-1-ium;trifluoromethanesulfonate

SMILES: CCCC[N+]1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[O-]

InChIKey: BEFWDPZVLOCGRP-UHFFFAOYSA-M

InChI: InChI=1S/C9H14N.CHF3O3S/c1-2-3-7-10-8-5-4-6-9-10;2-1(3,4)8(5,6)7/h4-6,8-9H,2-3,7H2,1H3;(H,5,6,7)/q+1;/p-1
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Tetradecylpyridinium chloride
- ≥99%
Cas Number: 2785-54-8 EC Number: 220-498-5 Compound CID: 17735

Formula: C₁₉H₃₄ClN Molecular Weight: 311.94

IUPAC Name: 1-tetradecylpyridin-1-ium;chloride

SMILES: CCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-]

InChIKey: YFVBASFBIJFBAI-UHFFFAOYSA-M

InChI: InChI=1S/C19H34N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20;/h13,15-16,18-19H,2-12,14,17H2,1H3;1H/q+1;/p-1

Synonyms: N-Tetradecylpyridinium Chloride | 1-Tetradecylpyridin-1-ium Chloride | Myristylpyridinium Chloride
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1-Hexylpyridinium trifluoromethanesulfonate
- ≥98%
Cas Number: 623167-81-7 Compound CID: 2734249

Formula: C₁₂H₁₈F₃NO₃S Molecular Weight: 313.34

IUPAC Name: 1-hexylpyridin-1-ium;trifluoromethanesulfonate

SMILES: CCCCCC[N+]1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[O-]

InChIKey: QFAUKQKOJVLHEL-UHFFFAOYSA-M

InChI: InChI=1S/C11H18N.CHF3O3S/c1-2-3-4-6-9-12-10-7-5-8-11-12;2-1(3,4)8(5,6)7/h5,7-8,10-11H,2-4,6,9H2,1H3;(H,5,6,7)/q+1;/p-1

Synonyms: N-Hexylpyridinium Trifluoromethanesulfonate | 1-Hexylpyridin-1-ium trifluoromethanesulfonate
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4-Bromopyridine 1-oxide
- ≥98%
Cas Number: 14248-50-1 Compound CID: 139708

Formula: C₅H₄BrNO Molecular Weight: 174

IUPAC Name: 4-bromo-1-oxidopyridin-1-ium

SMILES: C1=C[N+](=CC=C1Br)[O-]

InChIKey: ZRXLKDCFWJECNO-UHFFFAOYSA-N

InChI: InChI=1S/C5H4BrNO/c6-5-1-3-7(8)4-2-5/h1-4H
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4-(Trifluoromethyl)pyridine 1-oxide
- ≥95%
Cas Number: 22253-59-4 Compound CID: 144023

Formula: C₆H₄F₃NO Molecular Weight: 163.1

IUPAC Name: 1-oxido-4-(trifluoromethyl)pyridin-1-ium

SMILES: C1=C[N+](=CC=C1C(F)(F)F)[O-]

InChIKey: WDUUZHQOZHEULL-UHFFFAOYSA-N

InChI: InChI=1S/C6H4F3NO/c7-6(8,9)5-1-3-10(11)4-2-5/h1-4H
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3-Bromopyridine-N-oxide
- ≥95%
Cas Number: 2402-97-3 Compound CID: 142763

Formula: C₅H₄BrNO Molecular Weight: 174

IUPAC Name: 3-bromo-1-oxidopyridin-1-ium

SMILES: C1=CC(=C[N+](=C1)[O-])Br

InChIKey: YUIBFWHMRBJHNV-UHFFFAOYSA-N

InChI: InChI=1S/C5H4BrNO/c6-5-2-1-3-7(8)4-5/h1-4H
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2-Cyanopyridine 1-oxide
- ≥97%
Cas Number: 2402-98-4 Compound CID: 75466

Formula: C₆H₄N₂O Molecular Weight: 120.11

IUPAC Name: 1-oxidopyridin-1-ium-2-carbonitrile

SMILES: C1=CC=[N+](C(=C1)C#N)[O-]

InChIKey: XXDJXMMIVUCDGP-UHFFFAOYSA-N

InChI: InChI=1S/C6H4N2O/c7-5-6-3-1-2-4-8(6)9/h1-4H
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2-(chloromethyl)pyridine 1-oxide
- ≥95%
Cas Number: 31640-94-5 Compound CID: 265503

Formula: C₆H₆ClNO Molecular Weight: 143.57

IUPAC Name: 2-(chloromethyl)-1-oxidopyridin-1-ium

SMILES: C1=CC=[N+](C(=C1)CCl)[O-]

InChIKey: MOAMWFWIEPZLRO-UHFFFAOYSA-N

InChI: InChI=1S/C6H6ClNO/c7-5-6-3-1-2-4-8(6)9/h1-4H,5H2
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1-Octylpyridin-1-ium chloride
- ≥97%
Cas Number: 4086-73-1 Compound CID: 77708

Formula: C₁₃H₂₂ClN Molecular Weight: 227.77

IUPAC Name: 1-octylpyridin-1-ium;chloride

SMILES: CCCCCCCC[N+]1=CC=CC=C1.[Cl-]

InChIKey: OVIYAWWBKPWUOH-UHFFFAOYSA-M

InChI: InChI=1S/C13H22N.ClH/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;/h7,9-10,12-13H,2-6,8,11H2,1H3;1H/q+1;/p-1
Details

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1-Hexylpyridin-1-ium chloride
- ≥97%
Cas Number: 6220-15-1 Compound CID: 2734172

Formula: C₁₁H₁₈ClN Molecular Weight: 199.72

IUPAC Name: 1-hexylpyridin-1-ium;chloride

SMILES: CCCCCC[N+]1=CC=CC=C1.[Cl-]

InChIKey: JEOSMYVMLZTQOH-UHFFFAOYSA-M

InChI: InChI=1S/C11H18N.ClH/c1-2-3-4-6-9-12-10-7-5-8-11-12;/h5,7-8,10-11H,2-4,6,9H2,1H3;1H/q+1;/p-1
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