Molecule ID: 86289314

IUPAC Name: 3,6-bis(2-methylpropyl)-1,4-dioxido-5-oxopyrazin-1-ium-2-olate

Description: The molecule is an organic anion obtained by deprotonation of the two hydroxy groups of pulcherriminic acid; major species at pH 7.3. It has a role as a metabolite. It is a conjugate base of a pulcherriminic acid.

SMILES: CC(C)Cc1c([O-])[n+]([O-])c(CC(C)C)c(=O)n1[O-]

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

InChI: InChI=1S/C12H19N2O4/c1-7(2)5-9-11(15)14(18)10(6-8(3)4)12(16)13(9)17/h7-8,15H,5-6H2,1-4H3/q-1/p-1

Molecular Properties:
- Polar Surface Area: 95.2 Ų
- LogP: 1.0