5-[(4R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-pyridin-1-ium-3-carboxamide

Systemtic Name: 5-[(4R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-pyridin-1-ium-3-carboxamide Openeye Name: 5-[(4R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-methyl-pyridin-1-ium-3-carboxamide CAS Name: 5-[(4R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1-methyl-3-pyridin-1-iumcarboxamide IUPAC Name: 5-[(4R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpyridin-1-ium-3-carboxamide Traditional Name: 5-[(4R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-1-methyl-pyridin-1-ium-3-carboxamide Formula: C12H17N2O5+ MolecularWeight: 269.27378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=CC(=C1)C2C(C(C(O2)CO)O)O)C(=O)N

Isomeric SMILES

C[N+]1=CC(=CC(=C1)C2C([C@H](C(O2)CO)O)O)C(=O)N

InChI

InChI=1S/C12H16N2O5/c1-14-3-6(2-7(4-14)12(13)18)11-10(17)9(16)8(5-15)19-11/h2-4,8-11,15-17H,5H2,1H3,(H-,13,18)/p+1/t8?,9-,10?,11?/m0/s1