diethyl 2,6-dimethyl-4-[4-(2-pyridin-1-ium-1-ylethoxycarbonyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2,6-dimethyl-4-[4-(2-pyridin-1-ium-1-ylethoxycarbonyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2,6-dimethyl-4-[4-(2-pyridin-1-ium-1-ylethoxycarbonyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-[4-[oxo-[2-(1-pyridin-1-iumyl)ethoxy]methyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2,6-dimethyl-4-[4-(2-pyridin-1-ium-1-ylethoxycarbonyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-[4-(2-pyridin-1-ium-1-ylethoxycarbonyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C27H31N2O6+ MolecularWeight: 479.54484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C(=O)OCC[N+]3=CC=CC=C3)C(=O)OCC)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C(=O)OCC[N+]3=CC=CC=C3)C(=O)OCC)C)C

InChI

InChI=1S/C27H30N2O6/c1-5-33-26(31)22-18(3)28-19(4)23(27(32)34-6-2)24(22)20-10-12-21(13-11-20)25(30)35-17-16-29-14-8-7-9-15-29/h7-15,24H,5-6,16-17H2,1-4H3/p+1