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

Systemtic Name: 1-(4-chlorophenyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrrole-2,5-dione Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)-1-(4-chlorophenyl)pyrrole-2,5-dione CAS Name: 1-(4-chlorophenyl)-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrrole-2,5-dione IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)-1-(4-chlorophenyl)pyrrole-2,5-dione Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)-1-(4-chlorophenyl)-3-pyrroline-2,5-quinone Formula: C21H21ClN3O2+ MolecularWeight: 382.86334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O2/c22-17-6-8-18(9-7-17)25-20(26)14-19(21(25)27)24-12-10-23(11-13-24)15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2/p+1