[(1S)-1-(3-fluorophenyl)-2-[(2-phenylsulfanylpyridin-3-yl)carbonylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(3-fluorophenyl)-2-[(2-phenylsulfanylpyridin-3-yl)carbonylamino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(3-fluorophenyl)-2-[(2-phenylsulfanylpyridine-3-carbonyl)amino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(3-fluorophenyl)-2-[[oxo-[2-(phenylthio)-3-pyridinyl]methyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(3-fluorophenyl)-2-[(2-phenylsulfanylpyridine-3-carbonyl)amino]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(3-fluorophenyl)-2-[[2-(phenylthio)nicotinoyl]amino]ethyl]-dimethyl-ammonium Formula: C22H23FN3OS+ MolecularWeight: 396.500923

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2)C3=CC(=CC=C3)F

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2)C3=CC(=CC=C3)F

InChI

InChI=1S/C22H22FN3OS/c1-26(2)20(16-8-6-9-17(23)14-16)15-25-21(27)19-12-7-13-24-22(19)28-18-10-4-3-5-11-18/h3-14,20H,15H2,1-2H3,(H,25,27)/p+1/t20-/m1/s1