Want to comment
on this record?

(2R,3S)-3-Hydroxy-N,N,N,2-tetramethyl-2,3-dihydro-1-benzofuran-5-aminium iodide

ChemSpider ID: 32955
Molecular Formula: C₁₂H₁₈INO₂
Average mass: 335.181305 Da
Monoisotopic mass: 335.038208 Da
Systematic name

(2R,3S)-3-Hydroxy-N,N,N,2-tetramethyl-2,3-dihydro-1-benzofuran-5-aminium iodide
SMILES and InChIs

SMILES:

[I-].O[C@H]1c2cc(ccc2O[C@@H]1C)[N+](C)(C)C Copied

Std. InChI:

InChI=1S/C12H18NO2.HI/c1-8-12(14)10-7-9(13(2,3)4)5-6-11(10)15-8;/h5-8,12,14H,1-4H3;1H/q+1;/p-1/t8-,12-;/m1./s1 Copied

Std. InChIKey:

VVKWIAXBUFKNOF-DAIXLEOSSA-M Copied
Cite this record
CSID:32955, http://www.chemspider.com/Chemical-Structure.32955.html (accessed 16:15, May 25, 2012) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

31509-23-6 [RN]

trans-(2,3-Dihydro-3-hydroxy-2-methyl-5-benzofuranyl)trimethylammonium iodide

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Click to predict properties on the Chemicalize site

Patents	Personal Collections
Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library

Advertise Sponsor