Basic information
- CAS
27856-04-8- Standard SMILES
CCCCCCCC[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
LHFKRBYXOIOTIX-UHFFFAOYSA-M- Molecular formula
- C26H38ClNO3
- Average molar mass
- 448 g/mol
- Monoisotopic mass
- 447.2540218
Names & identifiers
- Preferred name
- Ammonium, dimethyl(2-hydroxyethyl)octyl-, chloride, benzilate
- IUPAC
- 2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl-dimethyl-octylazanium chloride
Names & synonyms
Dimethyl(2-hydroxyethyl)octylammonium chloride benzilate27856-04-8Benzilsaeure-dimethyl-octyl-ammonium-aethyl ester chlorid [German]AMMONIUM, DIMETHYL(2-HYDROXYETHYL)OCTYL-, CHLORIDE, BENZILATEBenzilsaeure-dimethyl-octyl-ammonium-aethyl ester chloridRefChem:319320DTXSID10950527N-(2-{[Hydroxy(diphenyl)acetyl]oxy}ethyl)-N,N-dimethyloctan-1-aminiumato chloridoN-(2-{[Hydroxydi(phenyl)acetyl]oxy}ethyl)-N,N-dimethyloctan-1-aminium chloride
Database identifiers
- CAS
27856-04-8- PubChem CID
- 34046
- DTXSID
DTXSID10950527
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 461
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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