Basic information
- CAS
66902-79-2- Standard SMILES
Cc1cc(OCCOCC[N+](C)(C)Cc2ccc(Cl)cc2)c(C(C)C)cc1Cl.[Cl-]- InChIKey
UARYXXNSPIEPEH-UHFFFAOYSA-M- Molecular formula
- C23H32Cl3NO2
- Average molar mass
- 460.9 g/mol
- Monoisotopic mass
- 459.149862
Names & identifiers
- Preferred name
- Ammonium, (p-chlorobenzyl)(2-(2-(4-chloro-2-isopropyl-5-methylphenoxy)ethoxy)ethyl)dimethyl-, chloride
- IUPAC
- 2-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethoxy]ethyl-[(4-chlorophenyl)methyl]-dimethylazanium chloride
Names & synonyms
66902-79-2Ammonium, (p-chlorobenzyl)(2-(2-(4-chloro-2-isopropyl-5-methylphenoxy)ethoxy)ethyl)dimethyl-, chlorideRefChem:319068DTXSID909855542-{2-[4-Chloro-5-methyl-2-(propan-2-yl)phenoxy]ethoxy}-N-[(4-chlorophenyl)methyl]-N,N-dimethylethan-1-aminium chloride
Database identifiers
- CAS
66902-79-2- PubChem CID
- 48309
- DTXSID
DTXSID90985554
Properties
Computed structural properties
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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