1,3-benzothiazol-3-ium-3-yl-(2-chlorophenyl)methanone bromide

Systemtic Name: 1,3-benzothiazol-3-ium-3-yl-(2-chlorophenyl)methanone bromide Openeye Name: 1,3-benzothiazol-3-ium-3-yl-(2-chlorophenyl)methanone bromide CAS Name: 1,3-benzothiazol-3-ium-3-yl-(2-chlorophenyl)methanone bromide IUPAC Name: 1,3-benzothiazol-3-ium-3-yl-(2-chlorophenyl)methanone bromide Traditional Name: 1,3-benzothiazol-3-ium-3-yl-(2-chlorophenyl)methanone bromide Formula: C14H9BrClNOS MolecularWeight: 354.64936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9ClNOS.BrH/c15-11-6-2-1-5-10(11)14(17)16-9-18-13-8-4-3-7-12(13)16;/h1-9H;1H/q+1;/p-1