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

Systemtic Name: 1-(4-chlorophenyl)-3-(4,4-dimethylpiperazin-4-ium-1-yl)carbonyl-7,7-dimethyl-6,8-dihydroquinoline-2,5-dione Openeye Name: 1-(4-chlorophenyl)-3-(4,4-dimethylpiperazin-4-ium-1-carbonyl)-7,7-dimethyl-6,8-dihydroquinoline-2,5-dione CAS Name: 1-(4-chlorophenyl)-3-[(4,4-dimethyl-1-piperazin-4-iumyl)-oxomethyl]-7,7-dimethyl-6,8-dihydroquinoline-2,5-dione IUPAC Name: 1-(4-chlorophenyl)-3-(4,4-dimethylpiperazin-4-ium-1-carbonyl)-7,7-dimethyl-6,8-dihydroquinoline-2,5-dione Traditional Name: 1-(4-chlorophenyl)-3-(4,4-dimethylpiperazin-4-ium-1-carbonyl)-7,7-dimethyl-6,8-dihydroquinoline-2,5-quinone Formula: C24H29ClN3O3+ MolecularWeight: 442.95836

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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[N+](CC4)(C)C)C(=O)C1)C

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClN3O3/c1-24(2)14-20-18(21(29)15-24)13-19(22(30)26-9-11-28(3,4)12-10-26)23(31)27(20)17-7-5-16(25)6-8-17/h5-8,13H,9-12,14-15H2,1-4H3/q+1