Basic information
- CAS
102585-72-8- Standard SMILES
C[N+]1(CCCN2CC3CCCC(C2)[N+]3(C)C)CCOCC1.[I-].[I-]- InChIKey
OOUPAJQDBXDIAE-UHFFFAOYSA-L- Molecular formula
- C17H35I2N3O
- Average molar mass
- 551.3 g/mol
- Monoisotopic mass
- 551.08696
Names & identifiers
- Preferred name
- 3-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9-dimethyl-3-(3-(4-methylmorpholinio)propyl)-, diiodide
- IUPAC
- 4-[3-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)propyl]-4-methylmorpholin-4-ium diiodide
Names & synonyms
3-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9-dimethyl-3-(3-(4-methylmorpholinio)propyl)-, diiodide102585-72-8RefChem:276726DTXSID109078749,9-Dimethyl-3-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-3,9-diazabicyclo[3.3.1]nonan-9-ium diiodide
Database identifiers
- CAS
102585-72-8- PubChem CID
- 59635
- DTXSID
DTXSID10907874
Properties
Computed structural properties
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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