hexadecyl 1-methylpyridin-1-ium-4-carboxylate iodide

Systemtic Name: hexadecyl 1-methylpyridin-1-ium-4-carboxylate iodide Openeye Name: hexadecyl 1-methylpyridin-1-ium-4-carboxylate iodide CAS Name: 1-methyl-4-pyridin-1-iumcarboxylic acid hexadecyl ester iodide IUPAC Name: hexadecyl 1-methylpyridin-1-ium-4-carboxylate iodide Traditional Name: 1-methylpyridin-1-ium-4-carboxylic acid cetyl ester iodide Formula: C23H40INO2 MolecularWeight: 489.47367

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC=[N+](C=C1)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC=[N+](C=C1)C.[I-]

InChI

InChI=1S/C23H40NO2.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-23(25)22-17-19-24(2)20-18-22;/h17-20H,3-16,21H2,1-2H3;1H/q+1;/p-1