[3,4-diacetyloxy-5-[3-(methylcarbamoyl)pyridin-1-ium-1-yl]oxolan-2-yl]methyl ethanoate bromide

Systemtic Name: [3,4-diacetyloxy-5-[3-(methylcarbamoyl)pyridin-1-ium-1-yl]oxolan-2-yl]methyl ethanoate bromide Openeye Name: [3,4-diacetoxy-5-[3-(methylcarbamoyl)pyridin-1-ium-1-yl]tetrahydrofuran-2-yl]methyl acetate bromide CAS Name: acetic acid [3,4-diacetyloxy-5-[3-(methylcarbamoyl)-1-pyridin-1-iumyl]-2-oxolanyl]methyl ester bromide IUPAC Name: [3,4-diacetyloxy-5-[3-(methylcarbamoyl)pyridin-1-ium-1-yl]oxolan-2-yl]methyl acetate bromide Traditional Name: acetic acid [3,4-diacetoxy-5-[3-(methylcarbamoyl)pyridin-1-ium-1-yl]tetrahydrofuran-2-yl]methyl ester bromide Formula: C18H23BrN2O8 MolecularWeight: 475.28782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O8.BrH/c1-10(21)25-9-14-15(26-11(2)22)16(27-12(3)23)18(28-14)20-7-5-6-13(8-20)17(24)19-4;/h5-8,14-16,18H,9H2,1-4H3;1H