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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CC3=CC=CC=[NH+]3)C.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CC3=CC=CC=[NH+]3)C.[Cl-]

InChI

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