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

Systemtic Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-methylphenyl)ethanone bromide Openeye Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(p-tolyl)ethanone bromide CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-methylphenyl)ethanone bromide IUPAC Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-methylphenyl)ethanone bromide Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(p-tolyl)ethanone bromide Formula: C16H14BrNOS MolecularWeight: 348.25746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C[N+]2=CSC3=CC=CC=C32.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[N+]2=CSC3=CC=CC=C32.[Br-]

InChI

InChI=1S/C16H14NOS.BrH/c1-12-6-8-13(9-7-12)15(18)10-17-11-19-16-5-3-2-4-14(16)17;/h2-9,11H,10H2,1H3;1H/q+1;/p-1