[3,4,5-triacetyloxy-6-(3-aminocarbonylpyridin-1-ium-1-yl)oxan-2-yl]methyl ethanoate

Systemtic Name: [3,4,5-triacetyloxy-6-(3-aminocarbonylpyridin-1-ium-1-yl)oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-(3-carbamoylpyridin-1-ium-1-yl)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-(3-carbamoyl-1-pyridin-1-iumyl)-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-(3-carbamoylpyridin-1-ium-1-yl)oxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-(3-carbamoylpyridin-1-ium-1-yl)tetrahydropyran-2-yl]methyl ester Formula: C20H25N2O10+ MolecularWeight: 453.4199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O10/c1-10(23)28-9-15-16(29-11(2)24)17(30-12(3)25)18(31-13(4)26)20(32-15)22-7-5-6-14(8-22)19(21)27/h5-8,15-18,20H,9H2,1-4H3,(H-,21,27)/p+1