hexadecyl 3-pyridin-1-ium-1-ylpropanoate

Systemtic Name: hexadecyl 3-pyridin-1-ium-1-ylpropanoate Openeye Name: hexadecyl 3-pyridin-1-ium-1-ylpropanoate CAS Name: 3-(1-pyridin-1-iumyl)propanoic acid hexadecyl ester IUPAC Name: hexadecyl 3-pyridin-1-ium-1-ylpropanoate Traditional Name: 3-pyridin-1-ium-1-ylpropionic acid cetyl ester Formula: C24H42NO2+ MolecularWeight: 376.59578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H42NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-27-24(26)19-22-25-20-16-15-17-21-25/h15-17,20-21H,2-14,18-19,22-23H2,1H3/q+1