Basic information
- CAS
102585-76-2- Standard SMILES
C[N+]1(C)C2CCCC1CN(CCCCCN1CC3CCCC(C1)[N+]3(C)C)C2.[I-].[I-]- InChIKey
CYENOEXCQRGRMU-UHFFFAOYSA-L- Molecular formula
- C23H46I2N4
- Average molar mass
- 632.4 g/mol
- Monoisotopic mass
- 632.18119
Names & identifiers
- Preferred name
- 3-Aza-9-azoniabicyclo(3.3.1)nonane, 3,3'-pentamethylenebis(9,9-dimethyl-, diiodide
- IUPAC
- 3-[5-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)pentyl]-9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide
Names & synonyms
3-Aza-9-azoniabicyclo(3.3.1)nonane, 3,3'-pentamethylenebis(9,9-dimethyl-, diiodide102585-76-21,5-Bis(9-methyl-3,9-diazabicyclo-(3,3,1)-nonane-3)-pentane dimethiodide3,3'-Pentamethylenebis(9,9-dimethyl-3-aza-9-azoniabicyclo(3.3.1)nonane) diiodideRefChem:276710DTXSID509078783,3'-(Pentane-1,5-diyl)bis(9,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-9-ium) diiodide
Database identifiers
- CAS
102585-76-2- PubChem CID
- 59643
- DTXSID
DTXSID50907878
Properties
Computed structural properties
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 427
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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