3-chloranyl-1-(2,3-dimethylphenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-1-(2,3-dimethylphenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrrole-2,5-dione Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)-4-chloro-1-(2,3-dimethylphenyl)pyrrole-2,5-dione CAS Name: 3-chloro-1-(2,3-dimethylphenyl)-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrrole-2,5-dione IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)-4-chloro-1-(2,3-dimethylphenyl)pyrrole-2,5-dione Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)-4-chloro-1-(2,3-dimethylphenyl)-3-pyrroline-2,5-quinone Formula: C23H25ClN3O2+ MolecularWeight: 410.9165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C(=C(C2=O)Cl)N3CC[NH+](CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C(=C(C2=O)Cl)N3CC[NH+](CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H24ClN3O2/c1-16-7-6-10-19(17(16)2)27-22(28)20(24)21(23(27)29)26-13-11-25(12-14-26)15-18-8-4-3-5-9-18/h3-10H,11-15H2,1-2H3/p+1