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

Systemtic Name: [3,4,5-triacetyloxy-6-[3-(methylcarbamoyl)pyridin-1-ium-1-yl]oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-[3-(methylcarbamoyl)pyridin-1-ium-1-yl]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-[3-(methylcarbamoyl)-1-pyridin-1-iumyl]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-[3-(methylcarbamoyl)pyridin-1-ium-1-yl]oxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-[3-(methylcarbamoyl)pyridin-1-ium-1-yl]tetrahydropyran-2-yl]methyl ester Formula: C21H27N2O10+ MolecularWeight: 467.44648

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H26N2O10/c1-11(24)29-10-16-17(30-12(2)25)18(31-13(3)26)19(32-14(4)27)21(33-16)23-8-6-7-15(9-23)20(28)22-5/h6-9,16-19,21H,10H2,1-5H3/p+1