[(5Z,28Z)-tritriaconta-5,28-dien-17-yl] 1-methylpyridin-1-ium-4-carboxylate

Systemtic Name: [(5Z,28Z)-tritriaconta-5,28-dien-17-yl] 1-methylpyridin-1-ium-4-carboxylate Openeye Name: [(Z)-1-[(Z)-hexadec-11-enyl]heptadec-12-enyl] 1-methylpyridin-1-ium-4-carboxylate CAS Name: 1-methyl-4-pyridin-1-iumcarboxylic acid [(5Z,28Z)-tritriaconta-5,28-dien-17-yl] ester IUPAC Name: [(5Z,28Z)-tritriaconta-5,28-dien-17-yl] 1-methylpyridin-1-ium-4-carboxylate Traditional Name: 1-methylpyridin-1-ium-4-carboxylic acid [(Z)-1-[(Z)-hexadec-11-enyl]heptadec-12-enyl] ester Formula: C40H70NO2+ MolecularWeight: 596.9893

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CCCCCCCCCCCC(CCCCCCCCCCC=CCCCC)OC(=O)C1=CC=[N+](C=C1)C

Isomeric SMILES

CCCC/C=C\CCCCCCCCCCC(OC(=O)C1=CC=[N+](C=C1)C)CCCCCCCCCC/C=C\CCCC

InChI

InChI=1S/C40H70NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(43-40(42)38-34-36-41(3)37-35-38)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h10-13,34-37,39H,4-9,14-33H2,1-3H3/q+1/b12-10-,13-11-