dimethyl-[(1R)-2-[[(3R)-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1R)-2-[[(3R)-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1R)-2-[[(3R)-1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1R)-2-[[[(3R)-1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1R)-2-[[(3R)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-phenylethyl]azanium Traditional Name: [(1R)-2-[[(3R)-5-keto-1-[4-(methylthio)phenyl]pyrrolidine-3-carbonyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1CC(=O)N(C1)C2=CC=C(C=C2)SC)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(C1)C2=CC=C(C=C2)SC)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-24(2)20(16-7-5-4-6-8-16)14-23-22(27)17-13-21(26)25(15-17)18-9-11-19(28-3)12-10-18/h4-12,17,20H,13-15H2,1-3H3,(H,23,27)/p+1/t17-,20+/m1/s1