2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanoic acid bromide

Systemtic Name: 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)ethanoic acid bromide Openeye Name: 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid bromide CAS Name: 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid bromide IUPAC Name: 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid bromide Traditional Name: 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)acetic acid bromide Formula: C10H10BrNO2S MolecularWeight: 288.1609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)CC(=O)O.[Br-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)CC(=O)O.[Br-]

InChI

InChI=1S/C10H9NO2S.BrH/c1-7-11(6-10(12)13)8-4-2-3-5-9(8)14-7;/h2-5H,6H2,1H3;1H