diethyl 2-methyl-4-(3-nitrophenyl)-6-(pyridin-1-ium-1-ylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate chloride

Systemtic Name: diethyl 2-methyl-4-(3-nitrophenyl)-6-(pyridin-1-ium-1-ylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate chloride Openeye Name: diethyl 2-methyl-4-(3-nitrophenyl)-6-(pyridin-1-ium-1-ylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate chloride CAS Name: 2-methyl-4-(3-nitrophenyl)-6-(1-pyridin-1-iumylmethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester chloride IUPAC Name: diethyl 2-methyl-4-(3-nitrophenyl)-6-(pyridin-1-ium-1-ylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate chloride Traditional Name: 2-methyl-4-(3-nitrophenyl)-6-(pyridin-1-ium-1-ylmethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester chloride Formula: C24H26ClN3O6 MolecularWeight: 487.93274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O6.ClH/c1-4-32-23(28)20-16(3)25-19(15-26-12-7-6-8-13-26)22(24(29)33-5-2)21(20)17-10-9-11-18(14-17)27(30)31;/h6-14,21H,4-5,15H2,1-3H3;1H