(3R)-1-(2-methylsulfanylphenyl)-3-[4-(phenylmethyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(2-methylsulfanylphenyl)-3-[4-(phenylmethyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3R)-3-(4-benzylpiperazin-1-ium-1-yl)-1-(2-methylsulfanylphenyl)pyrrolidine-2,5-dione CAS Name: (3R)-1-[2-(methylthio)phenyl]-3-[4-(phenylmethyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-3-(4-benzylpiperazin-1-ium-1-yl)-1-(2-methylsulfanylphenyl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-(4-benzylpiperazin-1-ium-1-yl)-1-[2-(methylthio)phenyl]pyrrolidine-2,5-quinone Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1N2C(=O)CC(C2=O)[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC=C1N2C(=O)C[C@H](C2=O)[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2S/c1-28-20-10-6-5-9-18(20)25-21(26)15-19(22(25)27)24-13-11-23(12-14-24)16-17-7-3-2-4-8-17/h2-10,19H,11-16H2,1H3/p+1/t19-/m1/s1