2-[2-(hydroxymethyl)-5-oxidanyl-pyridin-1-ium-1-yl]pentanedioic acid

Systemtic Name: 2-[2-(hydroxymethyl)-5-oxidanyl-pyridin-1-ium-1-yl]pentanedioic acid Openeye Name: 2-[5-hydroxy-2-(hydroxymethyl)pyridin-1-ium-1-yl]pentanedioic acid CAS Name: 2-[5-hydroxy-2-(hydroxymethyl)-1-pyridin-1-iumyl]pentanedioic acid IUPAC Name: 2-[5-hydroxy-2-(hydroxymethyl)pyridin-1-ium-1-yl]pentanedioic acid Traditional Name: 2-(5-hydroxy-2-methylol-pyridin-1-ium-1-yl)glutaric acid Formula: C11H14NO6+ MolecularWeight: 256.23196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=[N+](C=C1O)C(CCC(=O)O)C(=O)O)CO

Isomeric SMILES

C1=CC(=[N+](C=C1O)C(CCC(=O)O)C(=O)O)CO

InChI

InChI=1S/C11H13NO6/c13-6-7-1-2-8(14)5-12(7)9(11(17)18)3-4-10(15)16/h1-2,5,9,13H,3-4,6H2,(H2-,14,15,16,17,18)/p+1