2-(hydroxymethyl)-6-pyridin-1-ium-1-yl-oxane-3,4,5-triol bromide

Systemtic Name: 2-(hydroxymethyl)-6-pyridin-1-ium-1-yl-oxane-3,4,5-triol bromide Openeye Name: 2-(hydroxymethyl)-6-pyridin-1-ium-1-yl-tetrahydropyran-3,4,5-triol bromide CAS Name: 2-(hydroxymethyl)-6-(1-pyridin-1-iumyl)oxane-3,4,5-triol bromide IUPAC Name: 2-(hydroxymethyl)-6-pyridin-1-ium-1-yloxane-3,4,5-triol bromide Traditional Name: 2-methylol-6-pyridin-1-ium-1-yl-tetrahydropyran-3,4,5-triol bromide Formula: C11H16BrNO5 MolecularWeight: 322.15244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16NO5.BrH/c13-6-7-8(14)9(15)10(16)11(17-7)12-4-2-1-3-5-12;/h1-5,7-11,13-16H,6H2;1H/q+1;/p-1