[(3Z,26Z)-nonacosa-3,26-dien-15-yl] 1-methylpyridin-1-ium-4-carboxylate

Systemtic Name: [(3Z,26Z)-nonacosa-3,26-dien-15-yl] 1-methylpyridin-1-ium-4-carboxylate Openeye Name: [(Z)-1-[(Z)-tetradec-11-enyl]pentadec-12-enyl] 1-methylpyridin-1-ium-4-carboxylate CAS Name: 1-methyl-4-pyridin-1-iumcarboxylic acid [(3Z,26Z)-nonacosa-3,26-dien-15-yl] ester IUPAC Name: [(3Z,26Z)-nonacosa-3,26-dien-15-yl] 1-methylpyridin-1-ium-4-carboxylate Traditional Name: 1-methylpyridin-1-ium-4-carboxylic acid [(Z)-1-[(Z)-tetradec-11-enyl]pentadec-12-enyl] ester Formula: C36H62NO2+ MolecularWeight: 540.88298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H62NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-35(39-36(38)34-30-32-37(3)33-31-34)29-27-25-23-21-19-17-15-13-11-9-7-5-2/h6-9,30-33,35H,4-5,10-29H2,1-3H3/q+1/b8-6-,9-7-