3-pyridin-1-ium-1-ylpropyl hexadecanoate

Systemtic Name: 3-pyridin-1-ium-1-ylpropyl hexadecanoate Openeye Name: 3-pyridin-1-ium-1-ylpropyl hexadecanoate CAS Name: hexadecanoic acid 3-(1-pyridin-1-iumyl)propyl ester IUPAC Name: 3-pyridin-1-ium-1-ylpropyl hexadecanoate Traditional Name: palmitic acid 3-pyridin-1-ium-1-ylpropyl ester Formula: C24H42NO2+ MolecularWeight: 376.59578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H42NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-24(26)27-23-18-22-25-20-16-14-17-21-25/h14,16-17,20-21H,2-13,15,18-19,22-23H2,1H3/q+1