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

Systemtic Name: [(Z)-octadec-9-enyl] 1-methylpyridin-1-ium-3-carboxylate chloride Openeye Name: [(Z)-octadec-9-enyl] 1-methylpyridin-1-ium-3-carboxylate chloride CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid [(Z)-octadec-9-enyl] ester chloride IUPAC Name: [(Z)-octadec-9-enyl] 1-methylpyridin-1-ium-3-carboxylate chloride Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid [(Z)-octadec-9-enyl] ester chloride Formula: C25H42ClNO2 MolecularWeight: 424.05948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H42NO2.ClH/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;1H/q+1;/p-1/b11-10-;