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

Systemtic Name: 2-(2-azanylpyridin-1-ium-1-yl)-1-[3,4-bis(oxidanyl)phenyl]ethanone Openeye Name: 2-(2-aminopyridin-1-ium-1-yl)-1-(3,4-dihydroxyphenyl)ethanone CAS Name: 2-(2-amino-1-pyridin-1-iumyl)-1-(3,4-dihydroxyphenyl)ethanone IUPAC Name: 2-(2-aminopyridin-1-ium-1-yl)-1-(3,4-dihydroxyphenyl)ethanone Traditional Name: 2-(2-aminopyridin-1-ium-1-yl)-1-(3,4-dihydroxyphenyl)ethanone Formula: C13H13N2O3+ MolecularWeight: 245.25392

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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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O3/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)/p+1