Basic information
- CAS
62334-40-1- Standard SMILES
COc1cc2c[nH+]c(C)c(Cc3ccc(Cl)cc3)c2cc1OC.[Br-]- InChIKey
STWZFTQMDXERKM-UHFFFAOYSA-N- Molecular formula
- C19H19BrClNO2
- Average molar mass
- 408.7 g/mol
- Monoisotopic mass
- 407.02877
Names & identifiers
- Preferred name
- Isoquinoline, 4-(p-chlorobenzyl)-6,7-dimethoxy-3-methyl-, hydrobromide
- IUPAC
- 4-[(4-chlorophenyl)methyl]-6,7-dimethoxy-3-methylisoquinolin-2-ium bromide
Names & synonyms
62334-40-14-(p-Chlorobenzyl)-6,7-dimethoxy-3-methylisoquinoline hydrobromideDimethoxy-6,7 methyl-3 para-chlorobenzyl-4 isoquinoleine bromhydrate [French]ISOQUINOLINE, 4-(p-CHLOROBENZYL)-6,7-DIMETHOXY-3-METHYL-, HYDROBROMIDEDimethoxy-6,7 methyl-3 para-chlorobenzyl-4 isoquinoleine bromhydrateRefChem:350042
Database identifiers
- CAS
62334-40-1- PubChem CID
- 44003
Properties
Computed structural properties
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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