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1-hexadecyl-N-(hydroxymethyl)pyridin-1-ium-3-carboxamide bromide

1-hexadecyl-N-(hydroxymethyl)pyridin-1-ium-3-carboxamide bromide

Systemtic Name:1-hexadecyl-N-(hydroxymethyl)pyridin-1-ium-3-carboxamide bromide
Openeye Name:1-hexadecyl-N-(hydroxymethyl)pyridin-1-ium-3-carboxamide bromide
CAS Name:1-hexadecyl-N-(hydroxymethyl)-3-pyridin-1-iumcarboxamide bromide
IUPAC Name:1-hexadecyl-N-(hydroxymethyl)pyridin-1-ium-3-carboxamide bromide
Traditional Name:1-cetyl-N-methylol-pyridin-1-ium-3-carboxamide bromide
Formula: C23H41BrN2O2
MolecularWeight: 457.48784
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)C(=O)NCO.[Br-]


Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)C(=O)NCO.[Br-]


InChI

InChI=1S/C23H40N2O2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-19-16-17-22(20-25)23(27)24-21-26;/h16-17,19-20,26H,2-15,18,21H2,1H3;1H


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