2-[2,6-bis(azanyl)-1,3-benzothiazol-3-ium-3-yl]-1-(4-bromophenyl)ethanone bromide

Systemtic Name: 2-[2,6-bis(azanyl)-1,3-benzothiazol-3-ium-3-yl]-1-(4-bromophenyl)ethanone bromide Openeye Name: 1-(4-bromophenyl)-2-(2,6-diamino-1,3-benzothiazol-3-ium-3-yl)ethanone bromide CAS Name: 1-(4-bromophenyl)-2-(2,6-diamino-1,3-benzothiazol-3-ium-3-yl)ethanone bromide IUPAC Name: 1-(4-bromophenyl)-2-(2,6-diamino-1,3-benzothiazol-3-ium-3-yl)ethanone bromide Traditional Name: 1-(4-bromophenyl)-2-(2,6-diamino-1,3-benzothiazol-3-ium-3-yl)ethanone bromide Formula: C15H13Br2N3OS MolecularWeight: 443.15622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C[N+]2=C(SC3=C2C=CC(=C3)N)N)Br.[Br-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)C[N+]2=C(SC3=C2C=CC(=C3)N)N)Br.[Br-]

InChI

InChI=1S/C15H12BrN3OS.BrH/c16-10-3-1-9(2-4-10)13(20)8-19-12-6-5-11(17)7-14(12)21-15(19)18;/h1-7,18H,8,17H2;1H