2-[(6-bromanyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]propanoate

Systemtic Name: 2-[(6-bromanyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]propanoate Openeye Name: 2-[(6-bromo-1H-benzimidazol-3-ium-2-yl)sulfanyl]propanoate CAS Name: 2-[(6-bromo-1H-benzimidazol-3-ium-2-yl)thio]propanoate IUPAC Name: 2-[(6-bromo-1H-benzimidazol-3-ium-2-yl)sulfanyl]propanoate Traditional Name: 2-[(6-bromo-1H-benzimidazol-3-ium-2-yl)thio]propionate Formula: C10H9BrN2O2S MolecularWeight: 301.15966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=[NH+]C2=C(N1)C=C(C=C2)Br

Isomeric SMILES

CC(C(=O)[O-])SC1=[NH+]C2=C(N1)C=C(C=C2)Br

InChI

InChI=1S/C10H9BrN2O2S/c1-5(9(14)15)16-10-12-7-3-2-6(11)4-8(7)13-10/h2-5H,1H3,(H,12,13)(H,14,15)