2-[2-(hydroxymethyl)-5-oxidanyl-pyridin-1-ium-1-yl]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-(hydroxymethyl)-5-oxidanyl-pyridin-1-ium-1-yl]-3-phenyl-propanoic acid Openeye Name: 2-[5-hydroxy-2-(hydroxymethyl)pyridin-1-ium-1-yl]-3-phenyl-propanoic acid CAS Name: 2-[5-hydroxy-2-(hydroxymethyl)-1-pyridin-1-iumyl]-3-phenylpropanoic acid IUPAC Name: 2-[5-hydroxy-2-(hydroxymethyl)pyridin-1-ium-1-yl]-3-phenylpropanoic acid Traditional Name: 2-(5-hydroxy-2-methylol-pyridin-1-ium-1-yl)-3-phenyl-propionic acid Formula: C15H16NO4+ MolecularWeight: 274.29184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)[N+]2=C(C=CC(=C2)O)CO

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)[N+]2=C(C=CC(=C2)O)CO

InChI

InChI=1S/C15H15NO4/c17-10-12-6-7-13(18)9-16(12)14(15(19)20)8-11-4-2-1-3-5-11/h1-7,9,14,17H,8,10H2,(H-,18,19,20)/p+1