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

Systemtic Name: 1-(4-methyl-2-phenyl-1,3-thiazol-3-ium-5-yl)ethanone chloride Openeye Name: 1-(4-methyl-2-phenyl-thiazol-3-ium-5-yl)ethanone chloride CAS Name: 1-(4-methyl-2-phenyl-5-thiazol-3-iumyl)ethanone chloride IUPAC Name: 1-(4-methyl-2-phenyl-1,3-thiazol-3-ium-5-yl)ethanone chloride Traditional Name: 1-(4-methyl-2-phenyl-thiazol-3-ium-5-yl)ethanone chloride Formula: C12H12ClNOS MolecularWeight: 253.74778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NOS.ClH/c1-8-11(9(2)14)15-12(13-8)10-6-4-3-5-7-10;/h3-7H,1-2H3;1H