Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-5,6-dimethoxy-2-methyl-, hydrochloride
Basic information
- CAS
63937-80-4- Standard SMILES
COc1ccc2c(c1OC)CC[NH+](C)C2CCc1ccc(Cl)cc1.[Cl-]- InChIKey
GQNDSZHIIJWNTO-UHFFFAOYSA-N- Molecular formula
- C20H25Cl2NO2
- Average molar mass
- 382.3 g/mol
- Monoisotopic mass
- 381.1262344
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-5,6-dimethoxy-2-methyl-, hydrochloride
- IUPAC
- 1-[2-(4-chlorophenyl)ethyl]-5,6-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Names & synonyms
Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-5,6-dimethoxy-2-methyl-, hydrochloride1-(4-Chlorophenethyl)-5,6-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride63937-80-4RefChem:349904
Database identifiers
- CAS
63937-80-4- PubChem CID
- 45520
Properties
Computed structural properties
- Topological polar surface area
- 22.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 386
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Compound notes
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