Basic information
- CAS
42790-41-0- Standard SMILES
c1ccc(C[N+]23CCC(CC2)CC3)cc1- InChIKey
RDPBRXDVEIYBBL-UHFFFAOYSA-N- Molecular formula
- C14H20N+
- Average molar mass
- 202.31 g/mol
- Monoisotopic mass
- 202.15957464
Names & identifiers
- Preferred name
- Benzylquinuclidinium
- IUPAC
- 1-benzyl-1-azoniabicyclo[2.2.2]octane
Names & synonyms
42790-41-0benzylquinuclidiniumNSC1657201-benzyl-1-azabicyclo[2.2.2]octan-1-iumSCHEMBL2344944DTXSID90329853NSC-165720
Database identifiers
- CAS
42790-41-0- PubChem CID
- 424472
- DTXSID
DTXSID90329853- Nikkaji
- J829.367H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 1
- Complexity
- 196
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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