Basic information
- CAS
66902-78-1- Standard SMILES
CCC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccc(Cl)cc2)c(Cl)c1.[Cl-]- InChIKey
ZJOAVTJFSFMZIV-UHFFFAOYSA-M- Molecular formula
- C24H34Cl3NO2
- Average molar mass
- 474.9 g/mol
- Monoisotopic mass
- 473.165512
Names & identifiers
- Preferred name
- ((4-(2-Methyl-2-butyl)-2-chlorophenoxy)ethoxyethyl)(4-chlorobenzyl)dimethylammonium chloride
- IUPAC
- 2-[2-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethyl-[(4-chlorophenyl)methyl]-dimethylazanium chloride
Names & synonyms
UNII-38NIK6RGMZ38NIK6RGMZ66902-78-1((4-(2-Methyl-2-butyl)-2-chlorophenoxy)ethoxyethyl)(4-chlorobenzyl)dimethylammonium chlorideAmmonium, (p-chlorobenzyl)(2-(2-(2-chloro-4-(1,1-dimethylpropyl)phenoxy)ethoxy)ethyl)dimethyl-, chlorideBENZENEMETHANAMINIUM, 4-CHLORO-N-(2-(2-(2-CHLORO-4-(1,1-DIMETHYLPROPYL)PHENOXY)ETHOXY)ETHYL)-N,N-DIMETHYL-, CHLORIDE (1:1)RefChem:196321DTXSID30985553Q272568012-{2-[2-Chloro-4-(2-methylbutan-2-yl)phenoxy]ethoxy}-N-[(4-chlorophenyl)methyl]-N,N-dimethylethan-1-aminium chloride
Database identifiers
- CAS
66902-78-1- PubChem CID
- 48307
- DTXSID
DTXSID30985553- UNII
- 38NIK6RGMZ
Properties
Computed structural properties
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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