[(Z)-octadec-9-enyl] 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: [(Z)-octadec-9-enyl] 1-methylpyridin-1-ium-3-carboxylate Openeye Name: [(Z)-octadec-9-enyl] 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid [(Z)-octadec-9-enyl] ester IUPAC Name: [(Z)-octadec-9-enyl] 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid [(Z)-octadec-9-enyl] ester Formula: C25H42NO2+ MolecularWeight: 388.60648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H42NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-28-25(27)24-20-19-21-26(2)23-24/h10-11,19-21,23H,3-9,12-18,22H2,1-2H3/q+1/b11-10-