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

Systemtic Name: 3-chloranyl-1-cyclohexyl-4-[[2-methyl-5-(4-methylpiperazin-4-ium-1-yl)carbonyl-phenyl]amino]pyrrole-2,5-dione Openeye Name: 3-chloro-1-cyclohexyl-4-[2-methyl-5-(4-methylpiperazin-4-ium-1-carbonyl)anilino]pyrrole-2,5-dione CAS Name: 3-chloro-1-cyclohexyl-4-[2-methyl-5-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]anilino]pyrrole-2,5-dione IUPAC Name: 3-chloro-1-cyclohexyl-4-[2-methyl-5-(4-methylpiperazin-4-ium-1-carbonyl)anilino]pyrrole-2,5-dione Traditional Name: 3-chloro-1-cyclohexyl-4-[2-methyl-5-(4-methylpiperazin-4-ium-1-carbonyl)anilino]-3-pyrroline-2,5-quinone Formula: C23H30ClN4O3+ MolecularWeight: 445.9623

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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)C4CCCCC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C)NC3=C(C(=O)N(C3=O)C4CCCCC4)Cl

InChI

InChI=1S/C23H29ClN4O3/c1-15-8-9-16(21(29)27-12-10-26(2)11-13-27)14-18(15)25-20-19(24)22(30)28(23(20)31)17-6-4-3-5-7-17/h8-9,14,17,25H,3-7,10-13H2,1-2H3/p+1