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

Systemtic Name: (3,4,5-triacetyloxy-6-pyridin-1-ium-1-yl-oxan-2-yl)methyl ethanoate bromide Openeye Name: (3,4,5-triacetoxy-6-pyridin-1-ium-1-yl-tetrahydropyran-2-yl)methyl acetate bromide CAS Name: acetic acid [3,4,5-triacetyloxy-6-(1-pyridin-1-iumyl)-2-oxanyl]methyl ester bromide IUPAC Name: (3,4,5-triacetyloxy-6-pyridin-1-ium-1-yloxan-2-yl)methyl acetate bromide Traditional Name: acetic acid (3,4,5-triacetoxy-6-pyridin-1-ium-1-yl-tetrahydropyran-2-yl)methyl ester bromide Formula: C19H24BrNO9 MolecularWeight: 490.29916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)[N+]2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C.[Br-]

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)[N+]2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C.[Br-]

InChI

InChI=1S/C19H24NO9.BrH/c1-11(21)25-10-15-16(26-12(2)22)17(27-13(3)23)18(28-14(4)24)19(29-15)20-8-6-5-7-9-20;/h5-9,15-19H,10H2,1-4H3;1H/q+1;/p-1