Basic information
- CAS
3818-79-9- Standard SMILES
CC(C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccccc1.Cl- InChIKey
KVWZRIJJNXGLDX-UHFFFAOYSA-N- Molecular formula
- C22H26ClNO2
- Average molar mass
- 371.9 g/mol
- Monoisotopic mass
- 371.1652068
Names & identifiers
- Preferred name
- 1-Azabicyclo(2.2.2)octan-3-yl 2,2-diphenylpropanoate--hydrogen chloride (1/1)
- IUPAC
- 1-azabicyclo[2.2.2]octan-3-yl 2,2-diphenylpropanoate;hydrochloride
Names & synonyms
DTXSID509591101-Azabicyclo(2.2.2)octan-3-yl 2,2-diphenylpropanoate--hydrogen chloride (1/1)1-Azabicyclo[2.2.2]octan-3-yl 2,2-diphenylpropanoate--hydrogen chloride (1/1)RefChem:1054864DTXCID7013869992,2-Diphenylpropionic acid 3-quinuclidinyl ester hydrochloride3818-79-9AprolidinPropionic acid, 2,2-diphenyl-, 3-quinuclidinyl ester, hydrochlorideBenzeneacetic acid, alpha-methyl-alpha-phenyl-, 1-azabicyclo(2.2.2)oct-3-yl ester, HClSCHEMBL50245991-azabicyclo[2.2.2]octan-3-yl 2,2-diphenylpropanoate;hydrochloride
Database identifiers
- CAS
3818-79-9- PubChem CID
- 199192
- DTXSID
DTXSID50959110
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…