ethyl 1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]pyridin-1-ium-3-carboxylate Openeye Name: ethyl 1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]pyridin-1-ium-3-carboxylate CAS Name: 1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C22H28NO11+ MolecularWeight: 482.45782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[N+](=CC=C1)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCOC(=O)C1=C[N+](=CC=C1)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C22H28NO11/c1-6-29-22(28)16-8-7-9-23(10-16)21-20(33-15(5)27)19(32-14(4)26)18(31-13(3)25)17(34-21)11-30-12(2)24/h7-10,17-21H,6,11H2,1-5H3/q+1