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

Systemtic Name: ethyl 1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]pyridin-1-ium-3-carboxylate bromide Openeye Name: ethyl 1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]pyridin-1-ium-3-carboxylate bromide CAS Name: 1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]-3-pyridin-1-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]pyridin-1-ium-3-carboxylate bromide Traditional Name: 1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]pyridin-1-ium-3-carboxylic acid ethyl ester bromide Formula: C22H28BrNO11 MolecularWeight: 562.36182

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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.[Br-]

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.[Br-]

InChI

InChI=1S/C22H28NO11.BrH/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;1H/q+1;/p-1