Isoquinoline, 1,2,3,4-tetrahydro-1-(beta-acetoxy-4-chloro)phenethyl-6,7-dimethoxy-2-methyl-, hydrochloride
Basic information
- CAS
63938-05-6- Standard SMILES
COc1cc2c(cc1OC)C(CC(OC(C)=O)c1ccc(Cl)cc1)[NH+](C)CC2.[Cl-]- InChIKey
UPHNITDUIYSNSY-UHFFFAOYSA-N- Molecular formula
- C22H27Cl2NO4
- Average molar mass
- 440.4 g/mol
- Monoisotopic mass
- 439.1317137
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-1-(beta-acetoxy-4-chloro)phenethyl-6,7-dimethoxy-2-methyl-, hydrochloride
- IUPAC
- [1-(4-chlorophenyl)-2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)ethyl] acetate chloride
Names & synonyms
63938-05-6Isoquinoline, 1,2,3,4-tetrahydro-1-(beta-acetoxy-4-chloro)phenethyl-6,7-dimethoxy-2-methyl-, hydrochlorideRefChem:1087707
Database identifiers
- CAS
63938-05-6- PubChem CID
- 45556
Properties
Computed structural properties
- Topological polar surface area
- 49.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 511
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Compound notes
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