dimethyl-[(1R)-2-[(2-methylsulfanylpyridin-3-yl)carbonylamino]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1R)-2-[(2-methylsulfanylpyridin-3-yl)carbonylamino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1R)-2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1R)-2-[[[2-(methylthio)-3-pyridinyl]-oxomethyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1R)-2-[(2-methylsulfanylpyridine-3-carbonyl)amino]-1-phenylethyl]azanium Traditional Name: dimethyl-[(1R)-2-[[2-(methylthio)nicotinoyl]amino]-1-phenyl-ethyl]ammonium Formula: C17H22N3OS+ MolecularWeight: 316.44108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3OS/c1-20(2)15(13-8-5-4-6-9-13)12-19-16(21)14-10-7-11-18-17(14)22-3/h4-11,15H,12H2,1-3H3,(H,19,21)/p+1/t15-/m0/s1