3-chloranyl-4-[[2-methyl-5-(4-methylpiperazin-4-ium-1-yl)carbonyl-phenyl]amino]-1-(4-methylphenyl)pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-4-[[2-methyl-5-(4-methylpiperazin-4-ium-1-yl)carbonyl-phenyl]amino]-1-(4-methylphenyl)pyrrole-2,5-dione Openeye Name: 3-chloro-4-[2-methyl-5-(4-methylpiperazin-4-ium-1-carbonyl)anilino]-1-(p-tolyl)pyrrole-2,5-dione CAS Name: 3-chloro-4-[2-methyl-5-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]anilino]-1-(4-methylphenyl)pyrrole-2,5-dione IUPAC Name: 3-chloro-4-[2-methyl-5-(4-methylpiperazin-4-ium-1-carbonyl)anilino]-1-(4-methylphenyl)pyrrole-2,5-dione Traditional Name: 3-chloro-4-[2-methyl-5-(4-methylpiperazin-4-ium-1-carbonyl)anilino]-1-(p-tolyl)-3-pyrroline-2,5-quinone Formula: C24H26ClN4O3+ MolecularWeight: 453.94124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=C(C=CC(=C3)C(=O)N4CC[NH+](CC4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=C(C=CC(=C3)C(=O)N4CC[NH+](CC4)C)C

InChI

InChI=1S/C24H25ClN4O3/c1-15-4-8-18(9-5-15)29-23(31)20(25)21(24(29)32)26-19-14-17(7-6-16(19)2)22(30)28-12-10-27(3)11-13-28/h4-9,14,26H,10-13H2,1-3H3/p+1