Basic information
- CAS
845252-34-8- Standard SMILES
COc1cc2c(cc1OC)C(=O)C(CC1CC[N+](Cc3ccccc3)(Cc3ccccc3)CC1)C2- InChIKey
UDDYCDNLGYWNNO-UHFFFAOYSA-N- Molecular formula
- C31H36NO3+
- Average molar mass
- 470.6 g/mol
- Monoisotopic mass
- 470.26951901
Names & identifiers
- Preferred name
- Donepezilbenzyl cation
- IUPAC
- 2-[(1,1-dibenzylpiperidin-1-ium-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
Names & synonyms
Donepezilbenzyl cation(+/-)-Donepezilbenzyl cationUNII-0O4999NFXI0O4999NFXIDonepezil quaternary salt845252-34-8Piperidinium, 4-((2,3-dihydro-5,6-dimethoxy-1-oxo-1H-inden-2-yl)methyl)-1,1-bis(phenylmethyl)-SCHEMBL5049046C31H36NO3+Q272370241,1-DIBENZYL-4-((5,6-DIMETHOXY-1-OXOINDAN-2-YL)METHYL)PIPERIDINIUM1,1-Dibenzyl-4-[(5,6-dimethoxy-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl]piperidinium
Database identifiers
- CAS
845252-34-8- PubChem CID
- 11613682
- UNII
- 0O4999NFXI
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 1
- Complexity
- 653
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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