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

Systemtic Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-phenyl-ethanone bromide Openeye Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-phenyl-ethanone bromide CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-phenylethanone bromide IUPAC Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-phenylethanone bromide Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-phenyl-ethanone bromide Formula: C15H12BrNOS MolecularWeight: 334.23088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12NOS.BrH/c17-14(12-6-2-1-3-7-12)10-16-11-18-15-9-5-4-8-13(15)16;/h1-9,11H,10H2;1H/q+1;/p-1