1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyridin-1-ium-3-carboxylic acid

Systemtic Name: 1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyridin-1-ium-3-carboxylic acid Openeye Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyridin-1-ium-3-carboxylic acid CAS Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3-pyridin-1-iumcarboxylic acid IUPAC Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxylic acid Traditional Name: 1-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)pyridin-1-ium-3-carboxylic acid Formula: C11H14NO6+ MolecularWeight: 256.23196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)C2C(C(C(O2)CO)O)O)C(=O)O

Isomeric SMILES

C1=CC(=C[N+](=C1)C2C(C(C(O2)CO)O)O)C(=O)O

InChI

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