Want to comment
on this record?

4-{4-[Diethyl(methyl)ammonio]butyl}-N,N-diethyl-N-methylanilinium diiodide

ChemSpider ID: 41681
Molecular Formula: C₂₀H₃₈I₂N₂
Average mass: 560.338074 Da
Monoisotopic mass: 560.112427 Da
Systematic name

4-{4-[Diethyl(methyl)ammonio]butyl}-N,N-diethyl-N-methylanilinium diiodide
SMILES and InChIs

SMILES:

[I-].[I-].c1cc(ccc1[N+](C)(CC)CC)CCCC[N+](CC)(CC)C Copied

Std. InChI:

InChI=1S/C20H38N2.2HI/c1-7-21(5,8-2)18-12-11-13-19-14-16-20(17-15-19)22(6,9-3)10-4;;/h14-17H,7-13,18H2,1-6H3;2*1H/q+2;;/p-2 Copied

Std. InChIKey:

VALMMTCBNFTXRE-UHFFFAOYSA-L Copied
Cite this record
CSID:41681, http://www.chemspider.com/Chemical-Structure.41681.html (accessed 11:22, May 21, 2013) Copied

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

63977-60-6 [RN]

M & B 2297

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