Isoquinoline, 1,2,3,4-tetrahydro-1-(2-chlorophenethyl)-6,7-dimethoxy-2-methyl-, hydrobromide
Basic information
- CAS
63937-78-0- Standard SMILES
COc1cc2c(cc1OC)C(CCc1ccccc1Cl)[NH+](C)CC2.[Br-]- InChIKey
MKOSACFREHVWRT-UHFFFAOYSA-N- Molecular formula
- C20H25BrClNO2
- Average molar mass
- 426.8 g/mol
- Monoisotopic mass
- 425.07572
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-1-(2-chlorophenethyl)-6,7-dimethoxy-2-methyl-, hydrobromide
- IUPAC
- 1-[2-(2-chlorophenyl)ethyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium bromide
Names & synonyms
Isoquinoline, 1,2,3,4-tetrahydro-1-(2-chlorophenethyl)-6,7-dimethoxy-2-methyl-, hydrobromide1-(2-Chlorophenethyl)-2-methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrobromide63937-78-0RefChem:349894
Database identifiers
- CAS
63937-78-0- PubChem CID
- 45516
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
- 394
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…