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

Systemtic Name: [(1R)-1-(3-fluorophenyl)-2-[(2-methylsulfanylpyridin-3-yl)carbonylamino]ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-(3-fluorophenyl)-2-[(2-methylsulfanylpyridine-3-carbonyl)amino]ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-(3-fluorophenyl)-2-[[[2-(methylthio)-3-pyridinyl]-oxomethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1R)-1-(3-fluorophenyl)-2-[(2-methylsulfanylpyridine-3-carbonyl)amino]ethyl]-dimethylazanium Traditional Name: [(1R)-1-(3-fluorophenyl)-2-[[2-(methylthio)nicotinoyl]amino]ethyl]-dimethyl-ammonium Formula: C17H21FN3OS+ MolecularWeight: 334.431543

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C17H20FN3OS/c1-21(2)15(12-6-4-7-13(18)10-12)11-20-16(22)14-8-5-9-19-17(14)23-3/h4-10,15H,11H2,1-3H3,(H,20,22)/p+1/t15-/m0/s1