3-Azoniabicyclo(3.3.1)nonane, 3-methyl-3-(4-(trimethylammonio)butyl)-, diiodide
Basic information
- CAS
64058-12-4- Standard SMILES
C[N+](C)(C)CCCC[N+]1(C)CC2CCCC(C2)C1.[I-].[I-]- InChIKey
VPSBSHPMUADTAT-UHFFFAOYSA-L- Molecular formula
- C16H34I2N2
- Average molar mass
- 508.26 g/mol
- Monoisotopic mass
- 508.08114
Names & identifiers
- Preferred name
- 3-Azoniabicyclo(3.3.1)nonane, 3-methyl-3-(4-(trimethylammonio)butyl)-, diiodide
- IUPAC
- trimethyl-[4-(3-methyl-3-azoniabicyclo[3.3.1]nonan-3-yl)butyl]azanium diiodide
Names & synonyms
64058-12-43-AZONIABICYCLO(3.3.1)NONANE, 3-METHYL-3-(4-(TRIMETHYLAMMONIO)BUTYL)-, DIIODIDEAmmonium, (4-(3-methyl-3-azoniabicyclo(3.3.1)non-3-yl)butyl)trimethyl-, diiodideRefChem:276863DTXSID909824823-Methyl-3-[4-(trimethylazaniumyl)butyl]-3-azabicyclo[3.3.1]nonan-3-ium diiodide
Database identifiers
- CAS
64058-12-4- PubChem CID
- 47130
- DTXSID
DTXSID90982482
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 255
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Compound notes
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