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

Systemtic Name: 3-chloranyl-1-(3-chlorophenyl)-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-chlorophenyl)pyrrole-2,5-dione CAS Name: 3-chloro-1-(3-chlorophenyl)-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrrole-2,5-dione IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)-4-chloro-1-(3-chlorophenyl)pyrrole-2,5-dione Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)-4-chloro-1-(3-chlorophenyl)-3-pyrroline-2,5-quinone Formula: C21H20Cl2N3O2+ MolecularWeight: 417.3084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=CC(=CC=C4)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=CC(=CC=C4)Cl)Cl

InChI

InChI=1S/C21H19Cl2N3O2/c22-16-7-4-8-17(13-16)26-20(27)18(23)19(21(26)28)25-11-9-24(10-12-25)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2/p+1