Molecule ID: 23278142

IUPAC Name: [3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-1-ium-4-yl]methylazanium

Description: The molecule is a pyridinium ion obtained by protonation of both nitrogens of pyridoxamine. It is a conjugate acid of a pyridoxaminium(1+).

SMILES: Cc1[nH+]cc(CO)c(C[NH3+])c1O

SELFIES: [C][C][=NH1+1][C][=C][Branch1][Ring1][C][O][C][Branch1][Ring1][C][NH3+1][=C][Ring1][#Branch2][O]

InChI: InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3/p+2

Molecular Properties:
- Polar Surface Area: 82.2 Ų
- LogP: -0.4