[(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: [(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: [(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetoxytetrahydropyran-2-yl]methyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid [(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid [(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetoxytetrahydropyran-2-yl]methyl ester Formula: C21H26NO11+ MolecularWeight: 468.43124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C2=C[N+](=CC=C2)C

Isomeric SMILES

CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C2=C[N+](=CC=C2)C

InChI

InChI=1S/C21H26NO11/c1-11(23)29-17-16(10-28-20(27)15-7-6-8-22(5)9-15)33-21(32-14(4)26)19(31-13(3)25)18(17)30-12(2)24/h6-9,16-19,21H,10H2,1-5H3/q+1/t16-,17-,18+,19-,21-/m1/s1