3-(2-methyl-5-oxidanyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid bromide

Systemtic Name: 3-(2-methyl-5-oxidanyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid bromide Openeye Name: 3-(5-hydroxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid bromide CAS Name: 3-(5-hydroxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid bromide IUPAC Name: 3-(5-hydroxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid bromide Traditional Name: 3-(5-hydroxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propionic acid bromide Formula: C11H12BrNO3S MolecularWeight: 318.18688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C=CC(=C2)O)CCC(=O)O.[Br-]

Isomeric SMILES

CC1=[N+](C2=C(S1)C=CC(=C2)O)CCC(=O)O.[Br-]

InChI

InChI=1S/C11H11NO3S.BrH/c1-7-12(5-4-11(14)15)9-6-8(13)2-3-10(9)16-7;/h2-3,6H,4-5H2,1H3,(H-,13,14,15);1H