dimethyl-[(2R)-2-methyl-3-[[2-(phenylmethylsulfanyl)phenyl]carbonylamino]propyl]azanium

Systemtic Name: dimethyl-[(2R)-2-methyl-3-[[2-(phenylmethylsulfanyl)phenyl]carbonylamino]propyl]azanium Openeye Name: [(2R)-3-[(2-benzylsulfanylbenzoyl)amino]-2-methyl-propyl]-dimethyl-ammonium CAS Name: dimethyl-[(2R)-2-methyl-3-[[oxo-[2-(phenylmethylthio)phenyl]methyl]amino]propyl]ammonium IUPAC Name: [(2R)-3-[(2-benzylsulfanylbenzoyl)amino]-2-methylpropyl]-dimethylazanium Traditional Name: [(2R)-3-[[2-(benzylthio)benzoyl]amino]-2-methyl-propyl]-dimethyl-ammonium Formula: C20H27N2OS+ MolecularWeight: 343.50618

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=CC=CC=C1SCC2=CC=CC=C2)C[NH+](C)C

Isomeric SMILES

C[C@H](CNC(=O)C1=CC=CC=C1SCC2=CC=CC=C2)C[NH+](C)C

InChI

InChI=1S/C20H26N2OS/c1-16(14-22(2)3)13-21-20(23)18-11-7-8-12-19(18)24-15-17-9-5-4-6-10-17/h4-12,16H,13-15H2,1-3H3,(H,21,23)/p+1/t16-/m1/s1