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

Systemtic Name: 3-(1,3-benzothiazol-3-ium-3-yl)propanoic acid bromide Openeye Name: 3-(1,3-benzothiazol-3-ium-3-yl)propanoic acid bromide CAS Name: 3-(1,3-benzothiazol-3-ium-3-yl)propanoic acid bromide IUPAC Name: 3-(1,3-benzothiazol-3-ium-3-yl)propanoic acid bromide Traditional Name: 3-(1,3-benzothiazol-3-ium-3-yl)propionic acid bromide Formula: C10H10BrNO2S MolecularWeight: 288.1609

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+](=CS2)CCC(=O)O.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)[N+](=CS2)CCC(=O)O.[Br-]

InChI

InChI=1S/C10H9NO2S.BrH/c12-10(13)5-6-11-7-14-9-4-2-1-3-8(9)11;/h1-4,7H,5-6H2;1H