bis(4-oxidanylidene-4-pentadecoxy-butyl) 2,6-dimethyl-4-(1-methylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate iodide

Systemtic Name: bis(4-oxidanylidene-4-pentadecoxy-butyl) 2,6-dimethyl-4-(1-methylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate iodide Openeye Name: bis(4-oxo-4-pentadecoxy-butyl) 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(4-oxo-4-pentadecoxybutyl) ester iodide IUPAC Name: bis(4-oxo-4-pentadecoxybutyl) 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(4-keto-4-pentadecoxy-butyl) ester iodide Formula: C53H89IN2O8 MolecularWeight: 1009.18683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOC(=O)CCCOC(=O)C1=C(NC(=C(C1C2=C[N+](=CC=C2)C)C(=O)OCCCC(=O)OCCCCCCCCCCCCCCC)C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCOC(=O)CCCOC(=O)C1=C(NC(=C(C1C2=C[N+](=CC=C2)C)C(=O)OCCCC(=O)OCCCCCCCCCCCCCCC)C)C.[I-]

InChI

InChI=1S/C53H88N2O8.HI/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-39-60-47(56)36-33-41-62-52(58)49-44(3)54-45(4)50(51(49)46-35-32-38-55(5)43-46)53(59)63-42-34-37-48(57)61-40-31-29-27-25-23-21-19-17-15-13-11-9-7-2;/h32,35,38,43,51H,6-31,33-34,36-37,39-42H2,1-5H3;1H