methyl 3,4,5-triacetyloxy-6-pyridin-1-ium-1-yl-oxane-2-carboxylate bromide

Systemtic Name: methyl 3,4,5-triacetyloxy-6-pyridin-1-ium-1-yl-oxane-2-carboxylate bromide Openeye Name: methyl 3,4,5-triacetoxy-6-pyridin-1-ium-1-yl-tetrahydropyran-2-carboxylate bromide CAS Name: 3,4,5-triacetyloxy-6-(1-pyridin-1-iumyl)-2-oxanecarboxylic acid methyl ester bromide IUPAC Name: methyl 3,4,5-triacetyloxy-6-pyridin-1-ium-1-yloxane-2-carboxylate bromide Traditional Name: 3,4,5-triacetoxy-6-pyridin-1-ium-1-yl-tetrahydropyran-2-carboxylic acid methyl ester bromide Formula: C18H22BrNO9 MolecularWeight: 476.27258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC(C1OC(=O)C)[N+]2=CC=CC=C2)C(=O)OC)OC(=O)C.[Br-]

Isomeric SMILES

CC(=O)OC1C(C(OC(C1OC(=O)C)[N+]2=CC=CC=C2)C(=O)OC)OC(=O)C.[Br-]

InChI

InChI=1S/C18H22NO9.BrH/c1-10(20)25-13-14(26-11(2)21)16(18(23)24-4)28-17(15(13)27-12(3)22)19-8-6-5-7-9-19;/h5-9,13-17H,1-4H3;1H/q+1;/p-1