hexadecyl 1-methylpyridin-1-ium-4-carboxylate

Systemtic Name: hexadecyl 1-methylpyridin-1-ium-4-carboxylate Openeye Name: hexadecyl 1-methylpyridin-1-ium-4-carboxylate CAS Name: 1-methyl-4-pyridin-1-iumcarboxylic acid hexadecyl ester IUPAC Name: hexadecyl 1-methylpyridin-1-ium-4-carboxylate Traditional Name: 1-methylpyridin-1-ium-4-carboxylic acid cetyl ester Formula: C23H40NO2+ MolecularWeight: 362.5692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-23(25)22-17-19-24(2)20-18-22/h17-20H,3-16,21H2,1-2H3/q+1