3-chloranyl-1-cyclohexyl-4-[[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]methylamino]pyrrole-2,5-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC3=C(C(=O)N(C3=O)C4CCCCC4)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC3=C(C(=O)N(C3=O)C4CCCCC4)Cl

InChI

InChI=1S/C23H29ClN4O3/c1-26-11-13-27(14-12-26)21(29)17-9-7-16(8-10-17)15-25-20-19(24)22(30)28(23(20)31)18-5-3-2-4-6-18/h7-10,18,25H,2-6,11-15H2,1H3/p+1