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

Systemtic Name: [3,4,5-triacetyloxy-6-(3-ethanoylpyridin-1-ium-1-yl)oxan-2-yl]methyl ethanoate bromide Openeye Name: [3,4,5-triacetoxy-6-(3-acetylpyridin-1-ium-1-yl)tetrahydropyran-2-yl]methyl acetate bromide CAS Name: acetic acid [3,4,5-triacetyloxy-6-(3-acetyl-1-pyridin-1-iumyl)-2-oxanyl]methyl ester bromide IUPAC Name: [3,4,5-triacetyloxy-6-(3-acetylpyridin-1-ium-1-yl)oxan-2-yl]methyl acetate bromide Traditional Name: acetic acid [3,4,5-triacetoxy-6-(3-acetylpyridin-1-ium-1-yl)tetrahydropyran-2-yl]methyl ester bromide Formula: C21H26BrNO10 MolecularWeight: 532.33584

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Descriptors Computed from Structure

Canonical SMILES:

CC(=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

CC(=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/C21H26NO10.BrH/c1-11(23)16-7-6-8-22(9-16)21-20(31-15(5)27)19(30-14(4)26)18(29-13(3)25)17(32-21)10-28-12(2)24;/h6-9,17-21H,10H2,1-5H3;1H/q+1;/p-1