Basic information
- CAS
102585-70-6- Standard SMILES
CC[N+](C)(CC)CCCN1CC2CCCC(C1)[N+]2(C)C.[I-].[I-]- InChIKey
MSINDPAPBSJZQC-UHFFFAOYSA-L- Molecular formula
- C17H37I2N3
- Average molar mass
- 537.3 g/mol
- Monoisotopic mass
- 537.10769
Names & identifiers
- Preferred name
- 3-Aza-9-azoniabicyclo(3.3.1)nonane, 3-(3-(diethylmethylammonio)propyl)-9,9-dimethyl-, diiodide
- IUPAC
- 3-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)propyl-diethyl-methylazanium diiodide
Names & synonyms
3-Aza-9-azoniabicyclo(3.3.1)nonane, 3-(3-(diethylmethylammonio)propyl)-9,9-dimethyl-, diiodide102585-70-6RefChem:276714DTXSID909078723-{3-[Diethyl(methyl)azaniumyl]propyl}-9,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-9-ium diiodide
Database identifiers
- CAS
102585-70-6- PubChem CID
- 59631
- DTXSID
DTXSID90907872
Properties
Computed structural properties
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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