3-(5-bromanyl-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoate

Systemtic Name: 3-(5-bromanyl-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoate Openeye Name: 3-(5-bromo-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoate CAS Name: 3-(5-bromo-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoate IUPAC Name: 3-(5-bromo-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoate Traditional Name: 3-(5-bromo-2-methyl-1,3-benzothiazol-3-ium-3-yl)propionate Formula: C11H10BrNO2S MolecularWeight: 300.1716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10BrNO2S/c1-7-13(5-4-11(14)15)9-6-8(12)2-3-10(9)16-7/h2-3,6H,4-5H2,1H3