2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-methoxyphenyl)ethanone

Systemtic Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-methoxyphenyl)ethanone Openeye Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-methoxyphenyl)ethanone CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-methoxyphenyl)ethanone Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-methoxyphenyl)ethanone Formula: C16H14NO2S+ MolecularWeight: 284.35286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C[N+]2=CSC3=CC=CC=C32

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[N+]2=CSC3=CC=CC=C32

InChI

InChI=1S/C16H14NO2S/c1-19-13-8-6-12(7-9-13)15(18)10-17-11-20-16-5-3-2-4-14(16)17/h2-9,11H,10H2,1H3/q+1