Basic information
- CAS
102585-69-3- Standard SMILES
CC[N+](C)(CC)CCC(=O)N1CC2CCCC(C1)[N+]2(C)C.[I-].[I-]- InChIKey
NHCJKXBBEHRYBN-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, 3-(3-(diethylmethylammonio)propionyl)-9,9-dimethyl-, diiodide
- IUPAC
- [3-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)-3-oxopropyl]-diethyl-methylazanium diiodide
Names & synonyms
3-Aza-9-azoniabicyclo(3.3.1)nonane, 3-(3-(diethylmethylammonio)propionyl)-9,9-dimethyl-, diiodide102585-69-3RefChem:276713DTXSID309078713-{3-[Diethyl(methyl)azaniumyl]propanoyl}-9,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-9-ium diiodide
Database identifiers
- CAS
102585-69-3- PubChem CID
- 59629
- DTXSID
DTXSID30907871
Properties
Computed structural properties
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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