bis(5-methyl-2-propan-2-yl-cyclohexyl) 2,6-dimethyl-4-(1-methylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate iodide

Systemtic Name: bis(5-methyl-2-propan-2-yl-cyclohexyl) 2,6-dimethyl-4-(1-methylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate iodide Openeye Name: bis(2-isopropyl-5-methyl-cyclohexyl) 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 bis(5-methyl-2-propan-2-ylcyclohexyl) ester iodide IUPAC Name: bis(5-methyl-2-propan-2-ylcyclohexyl) 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 bis(2-isopropyl-5-methyl-cyclohexyl) ester iodide Formula: C35H53IN2O4 MolecularWeight: 692.71079

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=C(NC(=C(C2C3=C[N+](=CC=C3)C)C(=O)OC4CC(CCC4C(C)C)C)C)C)C(C)C.[I-]

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C2=C(NC(=C(C2C3=C[N+](=CC=C3)C)C(=O)OC4CC(CCC4C(C)C)C)C)C)C(C)C.[I-]

InChI

InChI=1S/C35H52N2O4.HI/c1-20(2)27-14-12-22(5)17-29(27)40-34(38)31-24(7)36-25(8)32(33(31)26-11-10-16-37(9)19-26)35(39)41-30-18-23(6)13-15-28(30)21(3)4;/h10-11,16,19-23,27-30,33H,12-15,17-18H2,1-9H3;1H