Basic information
- CAS
63937-86-0- Standard SMILES
COc1cc2c(c(OC)c1OC)C(CCc1ccc(Cl)cc1)[NH+](C)CC2.[Br-]- InChIKey
CNWUDWCPTYHKSL-UHFFFAOYSA-N- Molecular formula
- C21H27BrClNO3
- Average molar mass
- 456.8 g/mol
- Monoisotopic mass
- 455.08628
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-2-methyl-6,7,8-trimethoxy-, hydrobromide
- IUPAC
- 1-[2-(4-chlorophenyl)ethyl]-6,7,8-trimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium bromide
Names & synonyms
Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-2-methyl-6,7,8-trimethoxy-, hydrobromide1-(4-Chlorophenethyl)-2-methyl-6,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline hydrobromide63937-86-0RefChem:349903
Database identifiers
- CAS
63937-86-0- PubChem CID
- 45530
Properties
Computed structural properties
- Topological polar surface area
- 32.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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