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

Systemtic Name: (3S)-3-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]-1-phenethyl-pyrrolidine-2,5-dione Openeye Name: (3S)-3-(4-benzhydrylpiperazine-1,4-diium-1-yl)-1-phenethyl-pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]-1-phenethylpyrrolidine-2,5-dione IUPAC Name: (3S)-3-(4-benzhydrylpiperazine-1,4-diium-1-yl)-1-phenethylpyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-benzhydrylpiperazine-1,4-diium-1-yl)-1-phenethyl-pyrrolidine-2,5-quinone Formula: C29H33N3O2+2 MolecularWeight: 455.59122

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1C2CC(=O)N(C2=O)CCC3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CC[NH+]1[C@H]2CC(=O)N(C2=O)CCC3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N3O2/c33-27-22-26(29(34)32(27)17-16-23-10-4-1-5-11-23)30-18-20-31(21-19-30)28(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26,28H,16-22H2/p+2/t26-/m0/s1