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

Systemtic Name: dimethyl-[(1S)-1-phenyl-2-[(2-phenylsulfanylpyridin-3-yl)carbonylamino]ethyl]azanium Openeye Name: dimethyl-[(1S)-1-phenyl-2-[(2-phenylsulfanylpyridine-3-carbonyl)amino]ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[oxo-[2-(phenylthio)-3-pyridinyl]methyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-1-phenyl-2-[(2-phenylsulfanylpyridine-3-carbonyl)amino]ethyl]azanium Traditional Name: dimethyl-[(1S)-1-phenyl-2-[[2-(phenylthio)nicotinoyl]amino]ethyl]ammonium Formula: C22H24N3OS+ MolecularWeight: 378.51046

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3OS/c1-25(2)20(17-10-5-3-6-11-17)16-24-21(26)19-14-9-15-23-22(19)27-18-12-7-4-8-13-18/h3-15,20H,16H2,1-2H3,(H,24,26)/p+1/t20-/m1/s1