1-(2-oxidanyl-2-phenyl-ethyl)pyridin-1-ium-2-ol bromide

Systemtic Name: 1-(2-oxidanyl-2-phenyl-ethyl)pyridin-1-ium-2-ol bromide Openeye Name: 1-(2-hydroxy-2-phenyl-ethyl)pyridin-1-ium-2-ol bromide CAS Name: 1-(2-hydroxy-2-phenylethyl)-2-pyridin-1-iumol bromide IUPAC Name: 1-(2-hydroxy-2-phenylethyl)pyridin-1-ium-2-ol bromide Traditional Name: 1-(2-hydroxy-2-phenyl-ethyl)pyridin-1-ium-2-ol bromide Formula: C13H14BrNO2 MolecularWeight: 296.15976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C[N+]2=CC=CC=C2O)O.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(C[N+]2=CC=CC=C2O)O.[Br-]

InChI

InChI=1S/C13H13NO2.BrH/c15-12(11-6-2-1-3-7-11)10-14-9-5-4-8-13(14)16;/h1-9,12,15H,10H2;1H