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

Systemtic Name: [3,4,5-triacetyloxy-6-(3-ethanoyl-5-propyl-pyridin-1-ium-1-yl)oxan-2-yl]methyl ethanoate bromide Openeye Name: [3,4,5-triacetoxy-6-(3-acetyl-5-propyl-pyridin-1-ium-1-yl)tetrahydropyran-2-yl]methyl acetate bromide CAS Name: acetic acid [3,4,5-triacetyloxy-6-(3-acetyl-5-propyl-1-pyridin-1-iumyl)-2-oxanyl]methyl ester bromide IUPAC Name: [3,4,5-triacetyloxy-6-(3-acetyl-5-propylpyridin-1-ium-1-yl)oxan-2-yl]methyl acetate bromide Traditional Name: acetic acid [3,4,5-triacetoxy-6-(3-acetyl-5-propyl-pyridin-1-ium-1-yl)tetrahydropyran-2-yl]methyl ester bromide Formula: C24H32BrNO10 MolecularWeight: 574.41558

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C[N+](=CC(=C1)C(=O)C)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C.[Br-]

Isomeric SMILES

CCCC1=C[N+](=CC(=C1)C(=O)C)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C.[Br-]

InChI

InChI=1S/C24H32NO10.BrH/c1-7-8-18-9-19(13(2)26)11-25(10-18)24-23(34-17(6)30)22(33-16(5)29)21(32-15(4)28)20(35-24)12-31-14(3)27;/h9-11,20-24H,7-8,12H2,1-6H3;1H/q+1;/p-1