1-(4-methylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-7,8-dihydro-6H-quinoline-2,5-dione

Systemtic Name: 1-(4-methylphenyl)-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-7,8-dihydro-6H-quinoline-2,5-dione Openeye Name: 3-(4-methylpiperazin-4-ium-1-carbonyl)-1-(p-tolyl)-7,8-dihydro-6H-quinoline-2,5-dione CAS Name: 1-(4-methylphenyl)-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-7,8-dihydro-6H-quinoline-2,5-dione IUPAC Name: 1-(4-methylphenyl)-3-(4-methylpiperazin-4-ium-1-carbonyl)-7,8-dihydro-6H-quinoline-2,5-dione Traditional Name: 3-(4-methylpiperazin-4-ium-1-carbonyl)-1-(p-tolyl)-7,8-dihydro-6H-quinoline-2,5-quinone Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=C(C2=O)C(=O)N4CC[NH+](CC4)C)C(=O)CCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=C(C2=O)C(=O)N4CC[NH+](CC4)C)C(=O)CCC3

InChI

InChI=1S/C22H25N3O3/c1-15-6-8-16(9-7-15)25-19-4-3-5-20(26)17(19)14-18(22(25)28)21(27)24-12-10-23(2)11-13-24/h6-9,14H,3-5,10-13H2,1-2H3/p+1