Basic information
- CAS
120526-90-1- Standard SMILES
CCCC(Cc1ccc(OCC[N+](C)(C)C)cc1)c1ccc(OCC[N+](C)(C)C)cc1.[I-].[I-]- InChIKey
GUFOYWWEQUKYHB-UHFFFAOYSA-L- Molecular formula
- C27H44I2N2O2
- Average molar mass
- 682.5 g/mol
- Monoisotopic mass
- 682.14922
Overview
Trimethyl({2-[4-(2-{4-[2-(trimethylazaniumyl)ethoxy]phenyl}pentyl)phenoxy]ethyl})azanium diiodide is a stilbenoid.
Names & identifiers
- Preferred name
- Ammonium, ((propylethylene)bis(p-phenyleneoxyethylene))bis(trimethyl-, diiodide
- IUPAC
- trimethyl-[2-[4-[1-[4-[2-(trimethylazaniumyl)ethoxy]phenyl]pentan-2-yl]phenoxy]ethyl]azanium diiodide
Names & synonyms
120526-90-1((Propylethylene)bis(p-phenyleneoxyethylene))bis(trimethylammonium iodide)AMMONIUM, ((PROPYLETHYLENE)BIS(p-PHENYLENEOXYETHYLENE))BIS(TRIMETHYL-, DIIODIDERefChem:318671DTXSID10923453CHEBI:1852842,2'-[Pentane-1,2-diylbis(4,1-phenyleneoxy)]bis(N,N,N-trimethylethan-1-aminium) diiodide2,2'-{Pentane-1,2-diylbis[(4,1-phenylene)oxy]}bis(N,N,N-trimethylethan-1-aminium) diiodideTrimethyl({2-[4-(2-{4-[2-(trimethylazaniumyl)ethoxy]phenyl}pentyl)phenoxy]ethyl})azanium diiodidetrimethyl-[2-[4-[1-[4-[2-(trimethylazaniumyl)ethoxy]phenyl]pentan-2-yl]phenoxy]ethyl]azanium;diiodide
Database identifiers
- CAS
120526-90-1- PubChem CID
- 60720
- DTXSID
DTXSID10923453- ChEBI
CHEBI:185284
Properties
Computed structural properties
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 467
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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