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

Systemtic Name: 1-phenyl-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione Openeye Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-1-phenyl-pyrrolidine-2,5-dione CAS Name: 1-phenyl-3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]pyrrolidine-2,5-dione IUPAC Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-1-phenylpyrrolidine-2,5-dione Traditional Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-1-phenyl-pyrrolidine-2,5-quinone Formula: C21H25N3O2+2 MolecularWeight: 351.4421

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2/c25-20-15-19(21(26)24(20)18-9-5-2-6-10-18)23-13-11-22(12-14-23)16-17-7-3-1-4-8-17/h1-10,19H,11-16H2/p+2