Basic information
- CAS
63937-63-3- Standard SMILES
COc1cc2c(cc1OC)C(CCc1cc(Cl)c(Cl)c(Cl)c1)[NH+](C)CC2.[Cl-]- InChIKey
VRBJICNRMCPYFG-UHFFFAOYSA-N- Molecular formula
- C20H23Cl4NO2
- Average molar mass
- 451.2 g/mol
- Monoisotopic mass
- 449.04829
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(3,4,5-trichlorophenethyl)-, hydrochloride
- IUPAC
- 6,7-dimethoxy-2-methyl-1-[2-(3,4,5-trichlorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Names & synonyms
63937-63-3Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(3,4,5-trichlorophenethyl)-, hydrochloride1-(3,4,5-Trichlorophenethyl)-2-methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline HClRefChem:349945
Database identifiers
- CAS
63937-63-3- PubChem CID
- 45501
Properties
Computed structural properties
- Topological polar surface area
- 22.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 443
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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