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

Systemtic Name: 3-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid bromide Openeye Name: 3-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid bromide CAS Name: 3-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid bromide IUPAC Name: 3-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid bromide Traditional Name: 3-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propionic acid bromide Formula: C12H14BrNO3S MolecularWeight: 332.21346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3S.BrH/c1-8-13(6-5-12(14)15)10-7-9(16-2)3-4-11(10)17-8;/h3-4,7H,5-6H2,1-2H3;1H