1-(4-chlorophenyl)-7,7-dimethyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-6,8-dihydroquinoline-2,5-dione

Systemtic Name: 1-(4-chlorophenyl)-7,7-dimethyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-6,8-dihydroquinoline-2,5-dione Openeye Name: 1-(4-chlorophenyl)-7,7-dimethyl-3-(4-methylpiperazin-4-ium-1-carbonyl)-6,8-dihydroquinoline-2,5-dione CAS Name: 1-(4-chlorophenyl)-7,7-dimethyl-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-6,8-dihydroquinoline-2,5-dione IUPAC Name: 1-(4-chlorophenyl)-7,7-dimethyl-3-(4-methylpiperazin-4-ium-1-carbonyl)-6,8-dihydroquinoline-2,5-dione Traditional Name: 1-(4-chlorophenyl)-7,7-dimethyl-3-(4-methylpiperazin-4-ium-1-carbonyl)-6,8-dihydroquinoline-2,5-quinone Formula: C23H27ClN3O3+ MolecularWeight: 428.93178

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=C(C(=O)N2C3=CC=C(C=C3)Cl)C(=O)N4CC[NH+](CC4)C)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C=C(C(=O)N2C3=CC=C(C=C3)Cl)C(=O)N4CC[NH+](CC4)C)C(=O)C1)C

InChI

InChI=1S/C23H26ClN3O3/c1-23(2)13-19-17(20(28)14-23)12-18(21(29)26-10-8-25(3)9-11-26)22(30)27(19)16-6-4-15(24)5-7-16/h4-7,12H,8-11,13-14H2,1-3H3/p+1