hexadecyl 1-methylpyridin-1-ium-2-carboxylate

Systemtic Name: hexadecyl 1-methylpyridin-1-ium-2-carboxylate Openeye Name: hexadecyl 1-methylpyridin-1-ium-2-carboxylate CAS Name: 1-methyl-2-pyridin-1-iumcarboxylic acid hexadecyl ester IUPAC Name: hexadecyl 1-methylpyridin-1-ium-2-carboxylate Traditional Name: 1-methylpyridin-1-ium-2-carboxylic acid cetyl ester Formula: C23H40NO2+ MolecularWeight: 362.5692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-26-23(25)22-19-16-17-20-24(22)2/h16-17,19-20H,3-15,18,21H2,1-2H3/q+1