3-Aza-9-azoniabicyclo(3.3.1)nonane, 3,3'-(m-phenylenebis(oxyethylene))bis(9,9-dimethyl-, diiodide
Basic information
- CAS
20302-39-0- Standard SMILES
C[N+]1(C)C2CCCC1CN(CCOc1cccc(OCCN3CC4CCCC(C3)[N+]4(C)C)c1)C2.[I-].[I-]- InChIKey
MBRFNRBQWDGUMS-UHFFFAOYSA-L- Molecular formula
- C28H48I2N4O2
- Average molar mass
- 726.5 g/mol
- Monoisotopic mass
- 726.18667
Names & identifiers
- Preferred name
- 3-Aza-9-azoniabicyclo(3.3.1)nonane, 3,3'-(m-phenylenebis(oxyethylene))bis(9,9-dimethyl-, diiodide
- IUPAC
- 3-[2-[3-[2-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)ethoxy]phenoxy]ethyl]-9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide
Names & synonyms
3-Aza-9-azoniabicyclo(3.3.1)nonane, 3,3'-(m-phenylenebis(oxyethylene))bis(9,9-dimethyl-, diiodide20302-39-0RefChem:276708DTXSID309424443,3'-[1,3-Phenylenebis(oxyethane-2,1-diyl)]bis(9,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-9-ium) diiodide
Database identifiers
- CAS
20302-39-0- PubChem CID
- 30098
- DTXSID
DTXSID30942444
Properties
Computed structural properties
- Topological polar surface area
- 24.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 585
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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