[(2R,3S,5R)-3-acetyloxy-5-(1-oxidanidylpyridin-1-ium-2-yl)oxolan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,5R)-3-acetyloxy-5-(1-oxidanidylpyridin-1-ium-2-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,5R)-3-acetoxy-5-(1-oxidopyridin-1-ium-2-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,5R)-3-acetyloxy-5-(1-oxido-2-pyridin-1-iumyl)-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,5R)-3-acetyloxy-5-(1-oxidopyridin-1-ium-2-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,5R)-3-acetoxy-5-(1-oxidopyridin-1-ium-2-yl)tetrahydrofuran-2-yl]methyl ester Formula: C14H17NO6 MolecularWeight: 295.28788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(CC(O1)C2=CC=CC=[N+]2[O-])OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)C2=CC=CC=[N+]2[O-])OC(=O)C

InChI

InChI=1S/C14H17NO6/c1-9(16)19-8-14-13(20-10(2)17)7-12(21-14)11-5-3-4-6-15(11)18/h3-6,12-14H,7-8H2,1-2H3/t12-,13+,14-/m1/s1