diethyl 4-(2-chlorophenyl)-2-methyl-6-[(1-methylpiperazin-1-ium-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-(2-chlorophenyl)-2-methyl-6-[(1-methylpiperazin-1-ium-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(2-chlorophenyl)-2-methyl-6-[(1-methylpiperazin-1-ium-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2-chlorophenyl)-2-methyl-6-[(1-methyl-1-piperazin-1-iumyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(2-chlorophenyl)-2-methyl-6-[(1-methylpiperazin-1-ium-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2-chlorophenyl)-2-methyl-6-[(1-methylpiperazin-1-ium-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C24H33ClN3O4+ MolecularWeight: 462.98952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OCC)C[N+]3(CCNCC3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OCC)C[N+]3(CCNCC3)C)C

InChI

InChI=1S/C24H32ClN3O4/c1-5-31-23(29)20-16(3)27-19(15-28(4)13-11-26-12-14-28)22(24(30)32-6-2)21(20)17-9-7-8-10-18(17)25/h7-10,21,26H,5-6,11-15H2,1-4H3/p+1