Basic information
- CAS
740741-60-0- Standard SMILES
C[N+]12CCC(c3ccccc3)(CC1)C(=O)C2- InChIKey
UCKSYFRXTAWSPV-UHFFFAOYSA-N- Molecular formula
- C14H18NO+
- Average molar mass
- 216.3 g/mol
- Monoisotopic mass
- 216.1388392
Overview
RN given refers to bromide
Names & identifiers
- Preferred name
- Quinuclium
- IUPAC
- 1-methyl-4-phenyl-1-azoniabicyclo[2.2.2]octan-3-one
Names & synonyms
QuinucliumF06X2L7LQN740741-60-0DTXSID002249811-METHYL-3-OXO-4-PHENYLQUINUCLIDINIUM1-AZONIABICYCLO(2.2.2)OCTANE, 1-METHYL-3-OXO-4-PHENYL-1-Methyl-3-keto-4-phenylquinuclidinium bromide1-Methyl-3-oxo-4-phenyl-1-azoniabicyclo(2.2.2)octane, bromideRefChem:178370DTXCID30147472UNII-F06X2L7LQN1-methyl-4-phenyl-1-azoniabicyclo[2.2.2]octan-3-one
Show more names
CHEMBL2111002SCHEMBL118830211-methyl-3-oxo-4-phenyl-1-azabicyclo[2.2.2]octan-1-iumQ27277467
Database identifiers
- CAS
740741-60-0- PubChem CID
- 47459
- DTXSID
DTXSID00224981- ChEMBL
CHEMBL2111002- UNII
- F06X2L7LQN
- Nikkaji
- J239.698J
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 1
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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