Halopenium Chloride
Basic information
- CAS
7008-13-1- Standard SMILES
Cc1cc(OCCC[N+](C)(C)Cc2ccc(Br)cc2)c(C(C)C)cc1Cl.[Cl-]- InChIKey
ISVREOQRBYZKHL-UHFFFAOYSA-M- Molecular formula
- C22H30BrCl2NO
- Average molar mass
- 475.3 g/mol
- Monoisotopic mass
- 473.08878
Names & identifiers
- Preferred name
- Halopenium Chloride
- IUPAC
- (4-bromophenyl)methyl-[3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)propyl]-dimethylazanium chloride
- English name
- Halopenium
- Molecular weight
- 0
Names & synonyms
Halopenium chloridehalopone chlorideChlorure d'halopeniumHalopenii chloridumcloruro de halopenioChloruro de halopenioRT6K0322Q7UNII-RT6K0322Q77008-13-1Halopenium chloride [INN:BAN]HALOPENIUM CHLORIDE [INN]4-Bromobenzyl(3-(4-chloro-5-methyl-2-isopropylphenoxy)propyl)dimethylammonium chloride
Show more names
Halopenium
RefChem:145101SCHEMBL2734589CHEMBL2106528SCHEMBL31084226DTXSID30990329(4-bromophenyl)methyl-[3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)propyl]-dimethylazanium chlorideNS00126116Q27288282
Database identifiers
- CAS
7008-13-1- PubChem CID
- 214344
- DTXSID
DTXSID30990329- ChEMBL
CHEMBL2106528- UNII
- RT6K0322Q7
Properties
Computed structural properties
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 409
Physicochemical properties
- FDA UNII
- 6 K0322Q7 · RT6K0322Q7
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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