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

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

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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)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C24H25ClN4O3/c1-16-8-9-18(22(30)28-12-10-27(2)11-13-28)14-19(16)26-21-20(25)23(31)29(24(21)32)15-17-6-4-3-5-7-17/h3-9,14,26H,10-13,15H2,1-2H3/p+1