Basic information
- CAS
102585-74-0- Standard SMILES
C[N+]1(CCCN2CC3CCCC(C2)[N+]3(C)C)CCCCC1.[I-].[I-]- InChIKey
CNQOESYEBAIYHH-UHFFFAOYSA-L- Molecular formula
- C18H37I2N3
- Average molar mass
- 549.3 g/mol
- Monoisotopic mass
- 549.10769
Names & identifiers
- Preferred name
- 3-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9-dimethyl-3-(3-(1-methylpiperidinio)propyl)-, diiodide
- IUPAC
- 9,9-dimethyl-3-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide
Names & synonyms
102585-74-03-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9-dimethyl-3-(3-(1-methylpiperidinio)propyl)-, diiodide9,9-Dimethyl-3-(3-(1-methylpiperidinio)propyl)-3-aza-9-azoniabicyclo(3.3.1)nonane diiodideRefChem:276725DTXSID309078769,9-Dimethyl-3-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-3,9-diazabicyclo[3.3.1]nonan-9-ium diiodide
Database identifiers
- CAS
102585-74-0- PubChem CID
- 59639
- DTXSID
DTXSID30907876
Properties
Computed structural properties
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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