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

Systemtic Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-methoxyphenyl)ethanone bromide Openeye Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-methoxyphenyl)ethanone bromide CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-methoxyphenyl)ethanone bromide IUPAC Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-methoxyphenyl)ethanone bromide Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-methoxyphenyl)ethanone bromide Formula: C16H14BrNO2S MolecularWeight: 364.25686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14NO2S.BrH/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;1H/q+1;/p-1