Basic information
- CAS
103660-57-7- Standard SMILES
COc1ccc(CC2C(=O)C3CC[NH+]2CC3)cc1OC.[Cl-]- InChIKey
KDYDWTPNMWTMDG-UHFFFAOYSA-N- Molecular formula
- C16H22ClNO3
- Average molar mass
- 311.8 g/mol
- Monoisotopic mass
- 311.1288213
Names & identifiers
- Preferred name
- 1-Azabicyclo(2.2.2)octan-3-one, 2-((3,4-dimethoxyphenyl)methyl)-, hydrochloride
- IUPAC
- 2-[(3,4-dimethoxyphenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-one chloride
Names & synonyms
2-(3,4-Dimethoxybenzylidene)-3-oxyquinuclidine hydrochloride2-((3,4-Dimethoxyphenyl)methyl)-1-azabicyclo(2.2.2)octan-3-one hydrochloride1-AZABICYCLO(2.2.2)OCTAN-3-ONE, 2-((3,4-DIMETHOXYPHENYL)METHYL)-, HYDROCHLORIDE103660-57-7RefChem:227607
Database identifiers
- CAS
103660-57-7- PubChem CID
- 59780
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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