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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=[N+](C=C1)CC(=O)C2=CC(=C(C=C2)O)O

Isomeric SMILES

CC1=NC=[N+](C=C1)CC(=O)C2=CC(=C(C=C2)O)O

InChI

InChI=1S/C13H12N2O3/c1-9-4-5-15(8-14-9)7-13(18)10-2-3-11(16)12(17)6-10/h2-6,8H,7H2,1H3,(H-,16,17,18)/p+1