4-(2-methyl-1,3-benzothiazol-3-ium-3-yl)butanoic acid bromide

Systemtic Name: 4-(2-methyl-1,3-benzothiazol-3-ium-3-yl)butanoic acid bromide Openeye Name: 4-(2-methyl-1,3-benzothiazol-3-ium-3-yl)butanoic acid bromide CAS Name: 4-(2-methyl-1,3-benzothiazol-3-ium-3-yl)butanoic acid bromide IUPAC Name: 4-(2-methyl-1,3-benzothiazol-3-ium-3-yl)butanoic acid bromide Traditional Name: 4-(2-methyl-1,3-benzothiazol-3-ium-3-yl)butyric acid bromide Formula: C12H14BrNO2S MolecularWeight: 316.21406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO2S.BrH/c1-9-13(8-4-7-12(14)15)10-5-2-3-6-11(10)16-9;/h2-3,5-6H,4,7-8H2,1H3;1H