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

Systemtic Name: 2-[2-(hydroxymethyl)-5-oxidanyl-pyridin-1-ium-1-yl]propanoic acid Openeye Name: 2-[5-hydroxy-2-(hydroxymethyl)pyridin-1-ium-1-yl]propanoic acid CAS Name: 2-[5-hydroxy-2-(hydroxymethyl)-1-pyridin-1-iumyl]propanoic acid IUPAC Name: 2-[5-hydroxy-2-(hydroxymethyl)pyridin-1-ium-1-yl]propanoic acid Traditional Name: 2-(5-hydroxy-2-methylol-pyridin-1-ium-1-yl)propionic acid Formula: C9H12NO4+ MolecularWeight: 198.19588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)[N+]1=C(C=CC(=C1)O)CO

Isomeric SMILES

CC(C(=O)O)[N+]1=C(C=CC(=C1)O)CO

InChI

InChI=1S/C9H11NO4/c1-6(9(13)14)10-4-8(12)3-2-7(10)5-11/h2-4,6,11H,5H2,1H3,(H-,12,13,14)/p+1