[(1S)-1-[1-(cyanomethyl)benzimidazol-2-yl]-3-methylsulfanyl-propyl]azanium

Systemtic Name: [(1S)-1-[1-(cyanomethyl)benzimidazol-2-yl]-3-methylsulfanyl-propyl]azanium Openeye Name: [(1S)-1-[1-(cyanomethyl)benzimidazol-2-yl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(1S)-1-[1-(cyanomethyl)-2-benzimidazolyl]-3-(methylthio)propyl]ammonium IUPAC Name: [(1S)-1-[1-(cyanomethyl)benzimidazol-2-yl]-3-methylsulfanylpropyl]azanium Traditional Name: [(1S)-1-[1-(cyanomethyl)benzimidazol-2-yl]-3-(methylthio)propyl]ammonium Formula: C13H17N4S+ MolecularWeight: 261.36588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1CC#N)[NH3+]

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1CC#N)[NH3+]

InChI

InChI=1S/C13H16N4S/c1-18-9-6-10(15)13-16-11-4-2-3-5-12(11)17(13)8-7-14/h2-5,10H,6,8-9,15H2,1H3/p+1/t10-/m0/s1