[4,5-diacetyloxy-6-(3-aminocarbonylpyridin-1-ium-1-yl)oxan-3-yl] ethanoate bromide

Systemtic Name: [4,5-diacetyloxy-6-(3-aminocarbonylpyridin-1-ium-1-yl)oxan-3-yl] ethanoate bromide Openeye Name: [4,5-diacetoxy-6-(3-carbamoylpyridin-1-ium-1-yl)tetrahydropyran-3-yl] acetate bromide CAS Name: acetic acid [4,5-diacetyloxy-6-(3-carbamoyl-1-pyridin-1-iumyl)-3-oxanyl] ester bromide IUPAC Name: [4,5-diacetyloxy-6-(3-carbamoylpyridin-1-ium-1-yl)oxan-3-yl] acetate bromide Traditional Name: acetic acid [4,5-diacetoxy-6-(3-carbamoylpyridin-1-ium-1-yl)tetrahydropyran-3-yl] ester bromide Formula: C17H21BrN2O8 MolecularWeight: 461.26124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)[N+]2=CC=CC(=C2)C(=O)N.[Br-]

Isomeric SMILES

CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)[N+]2=CC=CC(=C2)C(=O)N.[Br-]

InChI

InChI=1S/C17H20N2O8.BrH/c1-9(20)25-13-8-24-17(19-6-4-5-12(7-19)16(18)23)15(27-11(3)22)14(13)26-10(2)21;/h4-7,13-15,17H,8H2,1-3H3,(H-,18,23);1H