Basic information
- CAS
63937-75-7- Standard SMILES
COc1cc2c(cc1OC)C(CCc1ccc(Cl)cc1)[NH+](C)C(C)C2.[Br-]- InChIKey
OPLUFIYYYJLGSI-UHFFFAOYSA-N- Molecular formula
- C21H27BrClNO2
- Average molar mass
- 440.8 g/mol
- Monoisotopic mass
- 439.09137
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-6,7-dimethoxy-2,3-dimethyl-, hydrobromide
- IUPAC
- 1-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-2,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium bromide
Names & synonyms
Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-6,7-dimethoxy-2,3-dimethyl-, hydrobromide1-(4-Chlorophenethyl)-6,7-dimethoxy-2,3-dimethyl-1,2,3,4-tetrahydroisoquinoline hydrobromide63937-75-7RefChem:349906
Database identifiers
- CAS
63937-75-7- PubChem CID
- 45512
Properties
Computed structural properties
- Topological polar surface area
- 22.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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