[(2S)-1-[2-[(2-methylphenyl)amino]-1,3-thiazol-4-yl]propan-2-yl]azanium

Systemtic Name: [(2S)-1-[2-[(2-methylphenyl)amino]-1,3-thiazol-4-yl]propan-2-yl]azanium Openeye Name: [(1S)-1-methyl-2-[2-(2-methylanilino)thiazol-4-yl]ethyl]ammonium CAS Name: [(2S)-1-[2-(2-methylanilino)-4-thiazolyl]propan-2-yl]ammonium IUPAC Name: [(2S)-1-[2-(2-methylanilino)-1,3-thiazol-4-yl]propan-2-yl]azanium Traditional Name: [(1S)-1-methyl-2-[2-(o-toluidino)thiazol-4-yl]ethyl]ammonium Formula: C13H18N3S+ MolecularWeight: 248.36712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=CS2)CC(C)[NH3+]

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=CS2)C[C@H](C)[NH3+]

InChI

InChI=1S/C13H17N3S/c1-9-5-3-4-6-12(9)16-13-15-11(8-17-13)7-10(2)14/h3-6,8,10H,7,14H2,1-2H3,(H,15,16)/p+1/t10-/m0/s1