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

Systemtic Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-iodophenyl)ethanone bromide Openeye Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-iodophenyl)ethanone bromide CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-iodophenyl)ethanone bromide IUPAC Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-iodophenyl)ethanone bromide Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-iodophenyl)ethanone bromide Formula: C15H11BrINOS MolecularWeight: 460.12741

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+](=CS2)CC(=O)C3=CC=C(C=C3)I.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)[N+](=CS2)CC(=O)C3=CC=C(C=C3)I.[Br-]

InChI

InChI=1S/C15H11INOS.BrH/c16-12-7-5-11(6-8-12)14(18)9-17-10-19-15-4-2-1-3-13(15)17;/h1-8,10H,9H2;1H/q+1;/p-1