Basic information
- CAS
16405-22-4- Standard SMILES
CN1CC2CCCC(C1)[N+]2(C)CCOc1cccc(OCC[N+]2(C)C3CCCC2CN(C)C3)c1.[Br-].[Br-]- InChIKey
SHPYEHSBMBEIEK-UHFFFAOYSA-L- Molecular formula
- C28H48Br2N4O2
- Average molar mass
- 632.5 g/mol
- Monoisotopic mass
- 630.2144
Names & identifiers
- Preferred name
- 3-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9'-(m-phenylenebis(oxyethylene))bis(3,9-dimethyl-, dibromide
- IUPAC
- 9-[2-[3-[2-(3,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)ethoxy]phenoxy]ethyl]-3,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane dibromide
Names & synonyms
16405-22-43-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9'-(m-phenylenebis(oxyethylene))bis(3,9-dimethyl-, dibromideRefChem:276716DTXSID409368999,9'-[1,3-Phenylenebis(oxyethane-2,1-diyl)]bis(3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-9-ium) dibromide
Database identifiers
- CAS
16405-22-4- PubChem CID
- 27862
- DTXSID
DTXSID40936899
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
- 593
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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