Basic information
- CAS
63937-85-9- Standard SMILES
COc1cc2c(cc1OC)C(CCCc1ccc(Cl)cc1)[NH+](C)CC2.[Br-]- InChIKey
BTFSCJCNYHKTAH-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)methyl-6,7-dimethoxy-2-methyl-, hydrobromide
- IUPAC
- 1-[3-(4-chlorophenyl)propyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium bromide
Names & synonyms
63937-85-9Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)methyl-6,7-dimethoxy-2-methyl-, hydrobromideRefChem:349912
Database identifiers
- CAS
63937-85-9- PubChem CID
- 45528
Properties
Computed structural properties
- Topological polar surface area
- 22.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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