dimethyl-[(1R)-1-phenyl-2-(2-pyrimidin-2-ylsulfanylethanoylamino)ethyl]azanium

Systemtic Name: dimethyl-[(1R)-1-phenyl-2-(2-pyrimidin-2-ylsulfanylethanoylamino)ethyl]azanium Openeye Name: dimethyl-[(1R)-1-phenyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]ethyl]ammonium CAS Name: dimethyl-[(1R)-2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1R)-1-phenyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]ethyl]azanium Traditional Name: dimethyl-[(1R)-1-phenyl-2-[[2-(2-pyrimidylthio)acetyl]amino]ethyl]ammonium Formula: C16H21N4OS+ MolecularWeight: 317.42914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CSC1=NC=CC=N1)C2=CC=CC=C2

Isomeric SMILES

C[NH+](C)[C@@H](CNC(=O)CSC1=NC=CC=N1)C2=CC=CC=C2

InChI

InChI=1S/C16H20N4OS/c1-20(2)14(13-7-4-3-5-8-13)11-19-15(21)12-22-16-17-9-6-10-18-16/h3-10,14H,11-12H2,1-2H3,(H,19,21)/p+1/t14-/m0/s1