Ammonium, (p-chlorobenzyl)(2-(2-(4-chloro-3,5-dimethylphenoxy)ethoxy)ethyl)dimethyl-, chloride
Basic information
- CAS
66902-77-0- Standard SMILES
Cc1cc(OCCOCC[N+](C)(C)Cc2ccc(Cl)cc2)cc(C)c1Cl.[Cl-]- InChIKey
SWYMQJMCINQBMB-UHFFFAOYSA-M- Molecular formula
- C21H28Cl3NO2
- Average molar mass
- 432.8 g/mol
- Monoisotopic mass
- 431.118562
Names & identifiers
- Preferred name
- Ammonium, (p-chlorobenzyl)(2-(2-(4-chloro-3,5-dimethylphenoxy)ethoxy)ethyl)dimethyl-, chloride
- IUPAC
- 2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]ethyl-[(4-chlorophenyl)methyl]-dimethylazanium chloride
Names & synonyms
Ammonium, (p-chlorobenzyl)(2-(2-(4-chloro-3,5-dimethylphenoxy)ethoxy)ethyl)dimethyl-, chloride66902-77-0(p-Chlorobenzyl)(2-(2-(4-chloro-3,5-dimethylphenoxy)ethoxy)ethyl)dimethylammonium chlorideRefChem:319069DTXSID709855522-[2-(4-Chloro-3,5-dimethylphenoxy)ethoxy]-N-[(4-chlorophenyl)methyl]-N,N-dimethylethan-1-aminium chloride
Database identifiers
- CAS
66902-77-0- PubChem CID
- 48305
- DTXSID
DTXSID70985552
Properties
Computed structural properties
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 387
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Compound notes
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