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

Systemtic Name: bis(3-oxidanylidene-3-pentadecoxy-propyl) 2,6-dimethyl-4-(1-methylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: bis(3-oxo-3-pentadecoxy-propyl) 2,6-dimethyl-4-(1-methylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(1-methyl-3-pyridin-1-iumyl)-1,4-dihydropyridine-3,5-dicarboxylic acid bis(3-oxo-3-pentadecoxypropyl) ester IUPAC Name: bis(3-oxo-3-pentadecoxypropyl) 2,6-dimethyl-4-(1-methylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(1-methylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid bis(3-keto-3-pentadecoxy-propyl) ester Formula: C51H85N2O8+ MolecularWeight: 854.2292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOC(=O)CCOC(=O)C1=C(NC(=C(C1C2=C[N+](=CC=C2)C)C(=O)OCCC(=O)OCCCCCCCCCCCCCCC)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCOC(=O)CCOC(=O)C1=C(NC(=C(C1C2=C[N+](=CC=C2)C)C(=O)OCCC(=O)OCCCCCCCCCCCCCCC)C)C

InChI

InChI=1S/C51H84N2O8/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-37-58-45(54)34-39-60-50(56)47-42(3)52-43(4)48(49(47)44-33-32-36-53(5)41-44)51(57)61-40-35-46(55)59-38-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h32-33,36,41,49H,6-31,34-35,37-40H2,1-5H3/p+1