Basic information
- CAS
106458-69-9- Standard SMILES
C[N+]1(C)CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1.[Br-]- InChIKey
AZQUCWVYDQCDOC-UHFFFAOYSA-M- Molecular formula
- C21H26BrNO2
- Average molar mass
- 404.3 g/mol
- Monoisotopic mass
- 403.11469
Names & identifiers
- Preferred name
- 4-[(Diphenylacetyl)oxy]-1,1-dimethylpiperidin-1-ium bromide
- IUPAC
- (1,1-dimethylpiperidin-1-ium-4-yl) 2,2-diphenylacetate bromide
Names & synonyms
106458-69-9Piperidinium, 4-[(diphenylacetyl)oxy]-1,1-dimethyl-, bromideDTXSID006474144-[(Diphenylacetyl)oxy]-1,1-dimethylpiperidin-1-ium bromide
Database identifiers
- CAS
106458-69-9- PubChem CID
- 24809663
- DTXSID
DTXSID00647414
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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