(3R)-1-(4-chlorophenyl)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(4-chlorophenyl)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3R)-3-(4-benzylpiperazine-1,4-diium-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione CAS Name: (3R)-1-(4-chlorophenyl)-3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-3-(4-benzylpiperazine-1,4-diium-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-(4-benzylpiperazine-1,4-diium-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-quinone Formula: C21H24ClN3O2+2 MolecularWeight: 385.88716

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)[C@@H]3CC(=O)N(C3=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3O2/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/h1-9,19H,10-15H2/p+2/t19-/m1/s1