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

Systemtic Name: bis(3-hexadecoxypropyl) 2,6-dimethyl-4-(1-methylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate iodide Openeye Name: bis(3-hexadecoxypropyl) 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(3-hexadecoxypropyl) ester iodide IUPAC Name: bis(3-hexadecoxypropyl) 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(3-cetyloxypropyl) ester iodide Formula: C53H93IN2O6 MolecularWeight: 981.21979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C53H92N2O6.HI/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39-58-41-35-43-60-52(56)49-46(3)54-47(4)50(51(49)48-37-34-38-55(5)45-48)53(57)61-44-36-42-59-40-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;/h34,37-38,45,51H,6-33,35-36,39-44H2,1-5H3;1H