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

Systemtic Name: 3-chloranyl-1-(4-methoxyphenyl)-4-[[2-methyl-5-(4-methylpiperazin-4-ium-1-yl)carbonyl-phenyl]amino]pyrrole-2,5-dione Openeye Name: 3-chloro-1-(4-methoxyphenyl)-4-[2-methyl-5-(4-methylpiperazin-4-ium-1-carbonyl)anilino]pyrrole-2,5-dione CAS Name: 3-chloro-1-(4-methoxyphenyl)-4-[2-methyl-5-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]anilino]pyrrole-2,5-dione IUPAC Name: 3-chloro-1-(4-methoxyphenyl)-4-[2-methyl-5-(4-methylpiperazin-4-ium-1-carbonyl)anilino]pyrrole-2,5-dione Traditional Name: 3-chloro-1-(4-methoxyphenyl)-4-[2-methyl-5-(4-methylpiperazin-4-ium-1-carbonyl)anilino]-3-pyrroline-2,5-quinone Formula: C24H26ClN4O4+ MolecularWeight: 469.94064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C)NC3=C(C(=O)N(C3=O)C4=CC=C(C=C4)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C)NC3=C(C(=O)N(C3=O)C4=CC=C(C=C4)OC)Cl

InChI

InChI=1S/C24H25ClN4O4/c1-15-4-5-16(22(30)28-12-10-27(2)11-13-28)14-19(15)26-21-20(25)23(31)29(24(21)32)17-6-8-18(33-3)9-7-17/h4-9,14,26H,10-13H2,1-3H3/p+1