[(1S)-2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[2-(1,3-benzoxazol-2-ylthio)acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C19H22N3O2S+ MolecularWeight: 356.46188

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CSC1=NC2=CC=CC=C2O1)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CSC1=NC2=CC=CC=C2O1)C3=CC=CC=C3

InChI

InChI=1S/C19H21N3O2S/c1-22(2)16(14-8-4-3-5-9-14)12-20-18(23)13-25-19-21-15-10-6-7-11-17(15)24-19/h3-11,16H,12-13H2,1-2H3,(H,20,23)/p+1/t16-/m1/s1