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

Systemtic Name: 2-(2-azanyl-1,3-benzothiazol-3-ium-3-yl)-1-phenyl-ethanone bromide Openeye Name: 2-(2-amino-1,3-benzothiazol-3-ium-3-yl)-1-phenyl-ethanone bromide CAS Name: 2-(2-amino-1,3-benzothiazol-3-ium-3-yl)-1-phenylethanone bromide IUPAC Name: 2-(2-amino-1,3-benzothiazol-3-ium-3-yl)-1-phenylethanone bromide Traditional Name: 2-(2-amino-1,3-benzothiazol-3-ium-3-yl)-1-phenyl-ethanone bromide Formula: C15H13BrN2OS MolecularWeight: 349.24552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[N+]2=C(SC3=CC=CC=C32)N.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=C(SC3=CC=CC=C32)N.[Br-]

InChI

InChI=1S/C15H12N2OS.BrH/c16-15-17(12-8-4-5-9-14(12)19-15)10-13(18)11-6-2-1-3-7-11;/h1-9,16H,10H2;1H