2-(4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-1-phenyl-ethanone

Systemtic Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-1-phenyl-ethanone Openeye Name: 2-(4,5-dimethylthiazol-3-ium-2-yl)-1-phenyl-ethanone CAS Name: 2-(4,5-dimethyl-2-thiazol-3-iumyl)-1-phenylethanone IUPAC Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-1-phenylethanone Traditional Name: 2-(4,5-dimethylthiazol-3-ium-2-yl)-1-phenyl-ethanone Formula: C13H14NOS+ MolecularWeight: 232.32136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=[NH+]1)CC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1=C(SC(=[NH+]1)CC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C13H13NOS/c1-9-10(2)16-13(14-9)8-12(15)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3/p+1