1-[3,4-bis(oxidanyl)phenyl]-2-(3-bromanylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-(3-bromanylpyridin-1-ium-1-yl)ethanone Openeye Name: 2-(3-bromopyridin-1-ium-1-yl)-1-(3,4-dihydroxyphenyl)ethanone CAS Name: 2-(3-bromo-1-pyridin-1-iumyl)-1-(3,4-dihydroxyphenyl)ethanone IUPAC Name: 2-(3-bromopyridin-1-ium-1-yl)-1-(3,4-dihydroxyphenyl)ethanone Traditional Name: 2-(3-bromopyridin-1-ium-1-yl)-1-(3,4-dihydroxyphenyl)ethanone Formula: C13H11BrNO3+ MolecularWeight: 309.13534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(=O)C2=CC(=C(C=C2)O)O)Br

Isomeric SMILES

C1=CC(=C[N+](=C1)CC(=O)C2=CC(=C(C=C2)O)O)Br

InChI

InChI=1S/C13H10BrNO3/c14-10-2-1-5-15(7-10)8-13(18)9-3-4-11(16)12(17)6-9/h1-7H,8H2,(H-,16,17,18)/p+1