3-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9'-hexamethylenebis(3-benzyl-9-methyl-, diiodide
Basic information
- CAS
17747-53-4- Standard SMILES
C[N+]1(CCCCCC[N+]2(C)C3CCCC2CN(Cc2ccccc2)C3)C2CCCC1CN(Cc1ccccc1)C2.[I-].[I-]- InChIKey
GMZIRHOBDNYARW-UHFFFAOYSA-L- Molecular formula
- C36H56I2N4
- Average molar mass
- 798.7 g/mol
- Monoisotopic mass
- 798.25944
Names & identifiers
- Preferred name
- 3-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9'-hexamethylenebis(3-benzyl-9-methyl-, diiodide
- IUPAC
- 3-benzyl-9-[6-(3-benzyl-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)hexyl]-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide
Names & synonyms
17747-53-43-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9'-hexamethylenebis(3-benzyl-9-methyl-, diiodide9,9'-Hexamethylenebis(3-benzyl-9-methyl-3-aza-9-azoniabicyclo(3.3.1)nonane iodide)RefChem:276718DTXSID809389339,9'-(Hexane-1,6-diyl)bis(3-benzyl-9-methyl-3,9-diazabicyclo[3.3.1]nonan-9-ium) diiodide
Database identifiers
- CAS
17747-53-4- PubChem CID
- 28722
- DTXSID
DTXSID80938933
Properties
Computed structural properties
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 679
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Compound notes
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