Basic information
- CAS
102585-68-2- Standard SMILES
C[N+]1(C)C2CCCC1CN(Cc1ccccc1)C2.[I-]- InChIKey
QGHGSRCFDKPLRB-UHFFFAOYSA-M- Molecular formula
- C16H25IN2
- Average molar mass
- 372.29 g/mol
- Monoisotopic mass
- 372.10625
Names & identifiers
- Preferred name
- 3-Aza-9-azoniabicyclo(3.3.1)nonane, 3-benzyl-9,9-dimethyl-, iodide
- IUPAC
- 3-benzyl-9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane iodide
Names & synonyms
3-Benzyl-9,9-dimethyl-3-aza-9-azoniabicyclo(3.3.1)nonane iodide102585-68-23-AZA-9-AZONIABICYCLO(3.3.1)NONANE, 3-BENZYL-9,9-DIMETHYL-, IODIDERefChem:276715DTXSID709078703-Benzyl-9,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-9-ium iodide
Database identifiers
- CAS
102585-68-2- PubChem CID
- 59627
- DTXSID
DTXSID70907870
Properties
Computed structural properties
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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