[(1R)-1-(2-chlorophenyl)-2-[(3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridin-4-yl)carbonylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-1-(2-chlorophenyl)-2-[(3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridin-4-yl)carbonylamino]ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-(2-chlorophenyl)-2-[(3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carbonyl)amino]ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-(2-chlorophenyl)-2-[[[3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinyl]-oxomethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1R)-1-(2-chlorophenyl)-2-[(3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carbonyl)amino]ethyl]-dimethylazanium Traditional Name: [(1R)-1-(2-chlorophenyl)-2-[[3-cyano-6-cyclopropyl-2-(methylthio)isonicotinoyl]amino]ethyl]-dimethyl-ammonium Formula: C21H24ClN4OS+ MolecularWeight: 415.95946

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC(=NC(=C1C#N)SC)C2CC2)C3=CC=CC=C3Cl

Isomeric SMILES

C[NH+](C)[C@@H](CNC(=O)C1=CC(=NC(=C1C#N)SC)C2CC2)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H23ClN4OS/c1-26(2)19(14-6-4-5-7-17(14)22)12-24-20(27)15-10-18(13-8-9-13)25-21(28-3)16(15)11-23/h4-7,10,13,19H,8-9,12H2,1-3H3,(H,24,27)/p+1/t19-/m0/s1