hexadecyl 1-dodecylpyridin-1-ium-4-carboxylate

Systemtic Name: hexadecyl 1-dodecylpyridin-1-ium-4-carboxylate Openeye Name: hexadecyl 1-dodecylpyridin-1-ium-4-carboxylate CAS Name: 1-dodecyl-4-pyridin-1-iumcarboxylic acid hexadecyl ester IUPAC Name: hexadecyl 1-dodecylpyridin-1-ium-4-carboxylate Traditional Name: 1-laurylpyridin-1-ium-4-carboxylic acid cetyl ester Formula: C34H62NO2+ MolecularWeight: 516.86158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H62NO2/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-32-37-34(36)33-27-30-35(31-28-33)29-25-23-21-19-14-12-10-8-6-4-2/h27-28,30-31H,3-26,29,32H2,1-2H3/q+1