ditetradecyl 2,6-dimethyl-4-(1-methylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate iodide

Systemtic Name: ditetradecyl 2,6-dimethyl-4-(1-methylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate iodide Openeye Name: ditetradecyl 2,6-dimethyl-4-(1-methylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate iodide CAS Name: 2,6-dimethyl-4-(1-methyl-3-pyridin-1-iumyl)-1,4-dihydropyridine-3,5-dicarboxylic acid ditetradecyl ester iodide IUPAC Name: ditetradecyl 2,6-dimethyl-4-(1-methylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate iodide Traditional Name: 2,6-dimethyl-4-(1-methylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimyristyl ester iodide Formula: C43H73IN2O4 MolecularWeight: 808.95519

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(=O)C1=C(NC(=C(C1C2=C[N+](=CC=C2)C)C(=O)OCCCCCCCCCCCCCC)C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC(=O)C1=C(NC(=C(C1C2=C[N+](=CC=C2)C)C(=O)OCCCCCCCCCCCCCC)C)C.[I-]

InChI

InChI=1S/C43H72N2O4.HI/c1-6-8-10-12-14-16-18-20-22-24-26-28-33-48-42(46)39-36(3)44-37(4)40(41(39)38-31-30-32-45(5)35-38)43(47)49-34-29-27-25-23-21-19-17-15-13-11-9-7-2;/h30-32,35,41H,6-29,33-34H2,1-5H3;1H