4-Aza-1-azoniabicyclo[2.2.2]octane, 1-hexadecyl-, bromide
Basic information
- CAS
62634-16-6- Standard SMILES
CCCCCCCCCCCCCCCC[N+]12CCN(CC1)CC2.[Br-]- InChIKey
BVWUAKNLSMADAT-UHFFFAOYSA-M- Molecular formula
- C22H45BrN2
- Average molar mass
- 417.5 g/mol
- Monoisotopic mass
- 416.27661
Names & identifiers
- Preferred name
- 4-Aza-1-azoniabicyclo[2.2.2]octane, 1-hexadecyl-, bromide
- IUPAC
- 1-hexadecyl-4-aza-1-azoniabicyclo[2.2.2]octane bromide
Names & synonyms
62634-16-64-Aza-1-azoniabicyclo[2.2.2]octane, 1-hexadecyl-, bromide1-hexadecyl-4-aza-1-azoniabicyclo[2.2.2]octane BromideDTXSID504694411-HEXADECYL-1,4-DIAZABICYCLO[2.2.2]OCTAN-1-IUM BROMIDE
Database identifiers
- CAS
62634-16-6- PubChem CID
- 11611422
- DTXSID
DTXSID50469441
Properties
Computed structural properties
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 281
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Compound notes
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