3-(2H-1,3-benzothiazol-1-ium-3-yl)propanoic acid bromide

Systemtic Name: 3-(2H-1,3-benzothiazol-1-ium-3-yl)propanoic acid bromide Openeye Name: 3-(2H-1,3-benzothiazol-1-ium-3-yl)propanoic acid bromide CAS Name: 3-(2H-1,3-benzothiazol-1-ium-3-yl)propanoic acid bromide IUPAC Name: 3-(2H-1,3-benzothiazol-1-ium-3-yl)propanoic acid bromide Traditional Name: 3-(2H-1,3-benzothiazol-1-ium-3-yl)propionic acid bromide Formula: C10H12BrNO2S MolecularWeight: 290.17678

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Descriptors Computed from Structure

Canonical SMILES:

C1N(C2=CC=CC=C2[SH+]1)CCC(=O)O.[Br-]

Isomeric SMILES

C1N(C2=CC=CC=C2[SH+]1)CCC(=O)O.[Br-]

InChI

InChI=1S/C10H11NO2S.BrH/c12-10(13)5-6-11-7-14-9-4-2-1-3-8(9)11;/h1-4H,5-7H2,(H,12,13);1H