Basic information
- CAS
52807-79-1- Standard SMILES
C[NH+](C)C[C@@H]1C2CCC(CC2)C1c1ccc(Cl)c(Cl)c1.[Cl-]- InChIKey
CWRRQXXGIKGNJA-FZDQJODGSA-N- Molecular formula
- C17H24Cl3N
- Average molar mass
- 348.7 g/mol
- Monoisotopic mass
- 347.097433
Names & identifiers
- Preferred name
- 1-(3-(3,4-Dichlorophenyl)bicyclo(2.2.2)octan-2-yl)-N,N-dimethylmethanamine--hydrogen chloride (1/1)
- IUPAC
- [(2R)-3-(3,4-dichlorophenyl)-2-bicyclo[2.2.2]octanyl]methyl-dimethylazanium chloride
Names & synonyms
DTXSID509672701-(3-(3,4-Dichlorophenyl)bicyclo(2.2.2)octan-2-yl)-N,N-dimethylmethanamine--hydrogen chloride (1/1)RefChem:1054120DTXCID201394870trans-LR 518252807-79-1(E)-2-(3,4-Dichlorophenyl)-3-(dimethylaminomethyl)bicyclo(2.2.2)octane, hydrochlorideBicyclo(2.2.2)octane-2-methylamine, 3-(3,4-dichlorophenyl)-N,N-dimethyl-, hydrochloride, (E)-
Database identifiers
- CAS
52807-79-1- PubChem CID
- 40533
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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