6'-Methoxycinchonan-9-ol--hydrogen chloride (1/2)
Basic information
- CAS
85135-88-2- Standard SMILES
C=C[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.Cl.Cl- InChIKey
NNKXWRRDHYTHFP-HFUYCMBESA-N- Molecular formula
- C20H26Cl2N2O2
- Average molar mass
- 397.3 g/mol
- Monoisotopic mass
- 396.1371335
Names & identifiers
- Preferred name
- 6'-Methoxycinchonan-9-ol--hydrogen chloride (1/2)
- IUPAC
- (S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrochloride
Names & synonyms
DTXSID3010055516'-Methoxycinchonan-9-ol--hydrogen chloride (1/2)(1xi,9S)-6'-Methoxycinchonan-9-ol--hydrogen chloride (1/2)
Database identifiers
- CAS
85135-88-2- PubChem CID
- 55309
- DTXSID
DTXSID301005551
Properties
Computed structural properties
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…