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

Systemtic Name: 2-(2-azanylpyridin-1-ium-1-yl)-1-[3,4-bis(oxidanyl)phenyl]ethanone bromide Openeye Name: 2-(2-aminopyridin-1-ium-1-yl)-1-(3,4-dihydroxyphenyl)ethanone bromide CAS Name: 2-(2-amino-1-pyridin-1-iumyl)-1-(3,4-dihydroxyphenyl)ethanone bromide IUPAC Name: 2-(2-aminopyridin-1-ium-1-yl)-1-(3,4-dihydroxyphenyl)ethanone bromide Traditional Name: 2-(2-aminopyridin-1-ium-1-yl)-1-(3,4-dihydroxyphenyl)ethanone bromide Formula: C13H13BrN2O3 MolecularWeight: 325.15792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O3.BrH/c14-13-3-1-2-6-15(13)8-12(18)9-4-5-10(16)11(17)7-9;/h1-7,14H,8H2,(H2,16,17,18);1H