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

Systemtic Name: 3-chloranyl-1-(3-chloranyl-4-methyl-phenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrrole-2,5-dione Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)-4-chloro-1-(3-chloro-4-methyl-phenyl)pyrrole-2,5-dione CAS Name: 3-chloro-1-(3-chloro-4-methylphenyl)-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrrole-2,5-dione IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)-4-chloro-1-(3-chloro-4-methylphenyl)pyrrole-2,5-dione Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)-4-chloro-1-(3-chloro-4-methyl-phenyl)-3-pyrroline-2,5-quinone Formula: C22H22Cl2N3O2+ MolecularWeight: 431.33498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21Cl2N3O2/c1-15-7-8-17(13-18(15)23)27-21(28)19(24)20(22(27)29)26-11-9-25(10-12-26)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3/p+1