[(E)-octadec-9-enyl] 1-methylpyridin-1-ium-4-carboxylate

Systemtic Name: [(E)-octadec-9-enyl] 1-methylpyridin-1-ium-4-carboxylate Openeye Name: [(E)-octadec-9-enyl] 1-methylpyridin-1-ium-4-carboxylate CAS Name: 1-methyl-4-pyridin-1-iumcarboxylic acid [(E)-octadec-9-enyl] ester IUPAC Name: [(E)-octadec-9-enyl] 1-methylpyridin-1-ium-4-carboxylate Traditional Name: 1-methylpyridin-1-ium-4-carboxylic acid [(E)-octadec-9-enyl] ester Formula: C25H42NO2+ MolecularWeight: 388.60648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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