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

Systemtic Name: 1-hexadecyl-N-(hydroxymethyl)pyridin-1-ium-3-carboxamide Openeye Name: 1-hexadecyl-N-(hydroxymethyl)pyridin-1-ium-3-carboxamide CAS Name: 1-hexadecyl-N-(hydroxymethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: 1-hexadecyl-N-(hydroxymethyl)pyridin-1-ium-3-carboxamide Traditional Name: 1-cetyl-N-methylol-pyridin-1-ium-3-carboxamide Formula: C23H41N2O2+ MolecularWeight: 377.58384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40N2O2/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/p+1