Basic information
- CAS
54022-64-9- Standard SMILES
COc1ccc(/C(=N/OCCN2CCOCC2)c2nccc3cc(OC)c(OC)cc23)cc1OC.Cl.Cl- InChIKey
SRGRUFGWUPAXRE-QQLFSYIZSA-N- Molecular formula
- C26H33Cl2N3O6
- Average molar mass
- 554.5 g/mol
- Monoisotopic mass
- 553.1746412
Names & identifiers
- Preferred name
- Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-(2-(4-morpholinyl)ethyl)oxime, dihydrochloride
- IUPAC
- (Z)-1-(6,7-dimethoxyisoquinolin-1-yl)-1-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethoxy)methanimine;dihydrochloride
Names & synonyms
54022-64-9Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-(2-(4-morpholinyl)ethyl)oxime, dihydrochlorideRefChem:1089131
Database identifiers
- CAS
54022-64-9- PubChem CID
- 6509889
Properties
Computed structural properties
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 661
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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