Basic information
- CAS
17713-12-1- Standard SMILES
C[N+]1(CCCCCCC[N+]2(C)C3CCCC2CN(Cc2ccccc2)C3)C2CCCC1CN(Cc1ccccc1)C2.[I-].[I-]- InChIKey
NZVJMXGKNOLTLA-UHFFFAOYSA-L- Molecular formula
- C37H58I2N4
- Average molar mass
- 812.7 g/mol
- Monoisotopic mass
- 812.27509
Names & identifiers
- Preferred name
- 3-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9'-heptamethylenebis(3-benzyl-9-methyl-, diiodide
- IUPAC
- 3-benzyl-9-[7-(3-benzyl-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)heptyl]-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide
Names & synonyms
3-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9'-heptamethylenebis(3-benzyl-9-methyl-, diiodide17713-12-19,9'-Heptamethylenebis(3-benzyl-9-methyl-3-aza-9-azoniabicyclo(3.3.1)nonane iodide)RefChem:276717DTXSID109389019,9'-(Heptane-1,7-diyl)bis(3-benzyl-9-methyl-3,9-diazabicyclo[3.3.1]nonan-9-ium) diiodide
Database identifiers
- CAS
17713-12-1- PubChem CID
- 28708
- DTXSID
DTXSID10938901
Properties
Computed structural properties
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 694
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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