[(1R)-1-(4-tert-butylphenyl)-2-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-1-(4-tert-butylphenyl)-2-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-(4-tert-butylphenyl)-2-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-(4-tert-butylphenyl)-2-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1R)-1-(4-tert-butylphenyl)-2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]ethyl]-dimethylazanium Traditional Name: [(1R)-1-(4-tert-butylphenyl)-2-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]ethyl]-dimethyl-ammonium Formula: C20H28ClN4OS+ MolecularWeight: 407.98052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(CNC(=O)C2=NC(=NC=C2Cl)SC)[NH+](C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@H](CNC(=O)C2=NC(=NC=C2Cl)SC)[NH+](C)C

InChI

InChI=1S/C20H27ClN4OS/c1-20(2,3)14-9-7-13(8-10-14)16(25(4)5)12-22-18(26)17-15(21)11-23-19(24-17)27-6/h7-11,16H,12H2,1-6H3,(H,22,26)/p+1/t16-/m0/s1