[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(2-pyridin-3-ylethylamino)butan-2-yl]azanium

Systemtic Name: [(2S)-4-methylsulfanyl-1-oxidanylidene-1-(2-pyridin-3-ylethylamino)butan-2-yl]azanium Openeye Name: [(1S)-3-methylsulfanyl-1-[2-(3-pyridyl)ethylcarbamoyl]propyl]ammonium CAS Name: [(2S)-4-(methylthio)-1-oxo-1-[2-(3-pyridinyl)ethylamino]butan-2-yl]ammonium IUPAC Name: [(2S)-4-methylsulfanyl-1-oxo-1-(2-pyridin-3-ylethylamino)butan-2-yl]azanium Traditional Name: [(1S)-3-(methylthio)-1-[2-(3-pyridyl)ethylcarbamoyl]propyl]ammonium Formula: C12H20N3OS+ MolecularWeight: 254.3717

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCC1=CN=CC=C1)[NH3+]

Isomeric SMILES

CSCC[C@@H](C(=O)NCCC1=CN=CC=C1)[NH3+]

InChI

InChI=1S/C12H19N3OS/c1-17-8-5-11(13)12(16)15-7-4-10-3-2-6-14-9-10/h2-3,6,9,11H,4-5,7-8,13H2,1H3,(H,15,16)/p+1/t11-/m0/s1