O3-methyl O5-(3-pyrazin-1-ium-1-ylpropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate iodide

Systemtic Name: O3-methyl O5-(3-pyrazin-1-ium-1-ylpropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate iodide Openeye Name: O3-methyl O5-(3-pyrazin-1-ium-1-ylpropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate iodide CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-[3-(1-pyrazin-1-iumyl)propyl] ester iodide IUPAC Name: 3-O-methyl 5-O-(3-pyrazin-1-ium-1-ylpropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate iodide Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-(3-pyrazin-1-ium-1-ylpropyl) ester iodide Formula: C23H25IN4O6 MolecularWeight: 580.37227

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCCC[N+]2=CC=NC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC.[I-]

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCC[N+]2=CC=NC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC.[I-]

InChI

InChI=1S/C23H24N4O6.HI/c1-15-19(22(28)32-3)21(17-6-4-7-18(14-17)27(30)31)20(16(2)25-15)23(29)33-13-5-10-26-11-8-24-9-12-26;/h4,6-9,11-12,14,21H,5,10,13H2,1-3H3;1H