hexadecyl 1-[(Z)-octadec-9-enyl]pyridin-1-ium-4-carboxylate

Systemtic Name: hexadecyl 1-[(Z)-octadec-9-enyl]pyridin-1-ium-4-carboxylate Openeye Name: hexadecyl 1-[(Z)-octadec-9-enyl]pyridin-1-ium-4-carboxylate CAS Name: 1-[(Z)-octadec-9-enyl]-4-pyridin-1-iumcarboxylic acid hexadecyl ester IUPAC Name: hexadecyl 1-[(Z)-octadec-9-enyl]pyridin-1-ium-4-carboxylate Traditional Name: 1-[(Z)-octadec-9-enyl]pyridin-1-ium-4-carboxylic acid cetyl ester Formula: C40H72NO2+ MolecularWeight: 599.00518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H72NO2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-35-41-36-33-39(34-37-41)40(42)43-38-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h17,19,33-34,36-37H,3-16,18,20-32,35,38H2,1-2H3/q+1/b19-17-