[(1S)-1-(1,3-benzothiazol-2-yl)-3-methyl-butyl]azanium

Systemtic Name: [(1S)-1-(1,3-benzothiazol-2-yl)-3-methyl-butyl]azanium Openeye Name: [(1S)-1-(1,3-benzothiazol-2-yl)-3-methyl-butyl]ammonium CAS Name: [(1S)-1-(1,3-benzothiazol-2-yl)-3-methylbutyl]ammonium IUPAC Name: [(1S)-1-(1,3-benzothiazol-2-yl)-3-methylbutyl]azanium Traditional Name: [(1S)-1-(1,3-benzothiazol-2-yl)-3-methyl-butyl]ammonium Formula: C12H17N2S+ MolecularWeight: 221.34178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=NC2=CC=CC=C2S1)[NH3+]

Isomeric SMILES

CC(C)C[C@@H](C1=NC2=CC=CC=C2S1)[NH3+]

InChI

InChI=1S/C12H16N2S/c1-8(2)7-9(13)12-14-10-5-3-4-6-11(10)15-12/h3-6,8-9H,7,13H2,1-2H3/p+1/t9-/m0/s1