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

Systemtic Name: (3S)-3-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]-1-methyl-pyrrolidine-2,5-dione Openeye Name: (3S)-3-(4-benzhydrylpiperazine-1,4-diium-1-yl)-1-methyl-pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]-1-methylpyrrolidine-2,5-dione IUPAC Name: (3S)-3-(4-benzhydrylpiperazine-1,4-diium-1-yl)-1-methylpyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-benzhydrylpiperazine-1,4-diium-1-yl)-1-methyl-pyrrolidine-2,5-quinone Formula: C22H27N3O2+2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC(C1=O)[NH+]2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C[C@@H](C1=O)[NH+]2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2/c1-23-20(26)16-19(22(23)27)24-12-14-25(15-13-24)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19,21H,12-16H2,1H3/p+2/t19-/m0/s1