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

Systemtic Name: (3S)-1-phenethyl-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-3-(4-benzylpiperazine-1,4-diium-1-yl)-1-phenethyl-pyrrolidine-2,5-dione CAS Name: (3S)-1-phenethyl-3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-3-(4-benzylpiperazine-1,4-diium-1-yl)-1-phenethylpyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-benzylpiperazine-1,4-diium-1-yl)-1-phenethyl-pyrrolidine-2,5-quinone Formula: C23H29N3O2+2 MolecularWeight: 379.49526

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)C3CC(=O)N(C3=O)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)[C@H]3CC(=O)N(C3=O)CCC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2/c27-22-17-21(23(28)26(22)12-11-19-7-3-1-4-8-19)25-15-13-24(14-16-25)18-20-9-5-2-6-10-20/h1-10,21H,11-18H2/p+2/t21-/m0/s1