Molecule ID: 25201425

IUPAC Name: [4-(2-hydroxy-6-oxo-1H-pyridin-3-yl)-4-oxobutyl]-methylazanium

Description: The molecule is an organic cation that is the conjugate acid of 2,6-dihydroxypseudooxynicotine, obtained by protonation of the secondary amino group; major species at pH 7.3. It is an ammonium ion derivative and an organic cation. It derives from a pseudooxynicotinium(1+). It is a conjugate acid of a 2,6-dihydroxypseudooxynicotine.

SMILES: C[NH2+]CCCC(=O)c1ccc(O)nc1O

SELFIES: [C][NH2+1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][N][=C][Ring1][#Branch1][O]

InChI: InChI=1S/C10H14N2O3/c1-11-6-2-3-8(13)7-4-5-9(14)12-10(7)15/h4-5,11H,2-3,6H2,1H3,(H2,12,14,15)/p+1

Molecular Properties:
- Polar Surface Area: 83.0 Ų
- LogP: -0.1