Basic information
- CAS
17713-11-0- Standard SMILES
C[N+]1(CCCCC[N+]2(C)C3CCCC2CN(Cc2ccccc2)C3)C2CCCC1CN(Cc1ccccc1)C2.[I-].[I-]- InChIKey
VPSANDKMOVFBJT-UHFFFAOYSA-L- Molecular formula
- C35H54I2N4
- Average molar mass
- 784.6 g/mol
- Monoisotopic mass
- 784.24379
Names & identifiers
- Preferred name
- 3-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9'-pentamethylenebis(3-benzyl-9-methyl-, diiodide
- IUPAC
- 3-benzyl-9-[5-(3-benzyl-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)pentyl]-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide
Names & synonyms
17713-11-03-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9'-pentamethylenebis(3-benzyl-9-methyl-, diiodide9,9'-Pentamethylenebis(3-benzyl-9-methyl-3-aza-9-azoniabicyclo(3.3.1)nonane iodide)RefChem:276720DTXSID509389009,9'-(Pentane-1,5-diyl)bis(3-benzyl-9-methyl-3,9-diazabicyclo[3.3.1]nonan-9-ium) diiodide
Database identifiers
- CAS
17713-11-0- PubChem CID
- 28706
- DTXSID
DTXSID50938900
Properties
Computed structural properties
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 666
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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