Basic information
- CAS
102585-71-7- Standard SMILES
C[N+]1(CCN2CC3CCCC(C2)[N+]3(C)C)CCOCC1.[I-].[I-]- InChIKey
ZRIVOCZMSQRSBN-UHFFFAOYSA-L- Molecular formula
- C16H33I2N3O
- Average molar mass
- 537.26 g/mol
- Monoisotopic mass
- 537.07131
Names & identifiers
- Preferred name
- 3-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9-dimethyl-3-(2-(4-methylmorpholinio)ethyl)-, diiodide
- IUPAC
- 4-[2-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)ethyl]-4-methylmorpholin-4-ium diiodide
Names & synonyms
102585-71-73-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9-dimethyl-3-(2-(4-methylmorpholinio)ethyl)-, diiodide9,9-Dimethyl-3-(2-(4-methylmorpholinio)ethyl)-3-aza-9-azoniabicyclo(3.3.1)nonane diiodideRefChem:276723DTXSID509078739,9-Dimethyl-3-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-3,9-diazabicyclo[3.3.1]nonan-9-ium diiodide
Database identifiers
- CAS
102585-71-7- PubChem CID
- 59633
- DTXSID
DTXSID50907873
Properties
Computed structural properties
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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