3-(hydroxymethyl)-3-(1-oxidanidyl-1,2-dihydropyridin-1-ium-6-yl)-2H-chromen-4-one

Systemtic Name: 3-(hydroxymethyl)-3-(1-oxidanidyl-1,2-dihydropyridin-1-ium-6-yl)-2H-chromen-4-one Openeye Name: 3-(hydroxymethyl)-3-(1-oxido-1,2-dihydropyridin-1-ium-6-yl)chroman-4-one CAS Name: 3-(hydroxymethyl)-3-(1-oxido-1,2-dihydropyridin-1-ium-6-yl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 3-(hydroxymethyl)-3-(1-oxido-1,2-dihydropyridin-1-ium-6-yl)-2H-chromen-4-one Traditional Name: 3-methylol-3-(1-oxido-1,2-dihydropyridin-1-ium-6-yl)chroman-4-one Formula: C15H15NO4 MolecularWeight: 273.2839

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C([NH+]1[O-])C2(COC3=CC=CC=C3C2=O)CO

Isomeric SMILES

C1C=CC=C([NH+]1[O-])C2(COC3=CC=CC=C3C2=O)CO

InChI

InChI=1S/C15H15NO4/c17-9-15(13-7-3-4-8-16(13)19)10-20-12-6-2-1-5-11(12)14(15)18/h1-7,16-17H,8-10H2