[(1S)-3-methylsulfanyl-1-(1-prop-2-enylbenzimidazol-2-yl)propyl]azanium

Systemtic Name: [(1S)-3-methylsulfanyl-1-(1-prop-2-enylbenzimidazol-2-yl)propyl]azanium Openeye Name: [(1S)-1-(1-allylbenzimidazol-2-yl)-3-methylsulfanyl-propyl]ammonium CAS Name: [(1S)-3-(methylthio)-1-(1-prop-2-enyl-2-benzimidazolyl)propyl]ammonium IUPAC Name: [(1S)-3-methylsulfanyl-1-(1-prop-2-enylbenzimidazol-2-yl)propyl]azanium Traditional Name: [(1S)-1-(1-allylbenzimidazol-2-yl)-3-(methylthio)propyl]ammonium Formula: C14H20N3S+ MolecularWeight: 262.3937

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3S/c1-3-9-17-13-7-5-4-6-12(13)16-14(17)11(15)8-10-18-2/h3-7,11H,1,8-10,15H2,2H3/p+1/t11-/m0/s1