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

Systemtic Name: didodecyl 2,6-dimethyl-4-(1-methylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate iodide Openeye Name: didodecyl 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 didodecyl ester iodide IUPAC Name: didodecyl 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 dilauryl ester iodide Formula: C39H65IN2O4 MolecularWeight: 752.84887

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H64N2O4.HI/c1-6-8-10-12-14-16-18-20-22-24-29-44-38(42)35-32(3)40-33(4)36(37(35)34-27-26-28-41(5)31-34)39(43)45-30-25-23-21-19-17-15-13-11-9-7-2;/h26-28,31,37H,6-25,29-30H2,1-5H3;1H