3-psi-Tropine m-tolylacetate hydrochloride
Basic information
- CAS
3266-14-6- Standard SMILES
Cc1cccc(CC(=O)OC2C[C@H]3CC[C@@H](C2)N3C)c1.Cl- InChIKey
QAYLWRBKQVKUKC-ZIGIEQIVSA-N- Molecular formula
- C17H24ClNO2
- Average molar mass
- 309.8 g/mol
- Monoisotopic mass
- 309.1495567
Names & identifiers
- Preferred name
- 3-psi-Tropine m-tolylacetate hydrochloride
- IUPAC
- [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-(3-methylphenyl)acetate;hydrochloride
- English name
- [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl] 2-(3-methylphenyl)aceta te hydrochloride
- Molecular formula
- C17H23NO2.ClH
- Molecular weight
- 309.83
Names & synonyms
3266-14-63-psi-Tropine m-tolylacetate hydrochloride1-alpha-H,5-alpha-H-Tropan-3-beta-ol, m-tolylacetate, hydrochloride[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl] 2-(3-methylphenyl)aceta te hydrochloride
Database identifiers
- CAS
3266-14-6- PubChem CID
- 201106
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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