Basic information
- CAS
62334-28-5- Standard SMILES
CCc1[nH+]cc(Cc2ccc(Cl)cc2)c2cc(OC)c(OC)cc12.[Br-]- InChIKey
NMHCHTCVEYCSRL-UHFFFAOYSA-N- Molecular formula
- C20H21BrClNO2
- Average molar mass
- 422.7 g/mol
- Monoisotopic mass
- 421.04442
Names & identifiers
- Preferred name
- Isoquinoline, 4-(p-chlorobenzyl)-6,7-dimethoxy-1-ethyl-, hydrobromide
- IUPAC
- 4-[(4-chlorophenyl)methyl]-1-ethyl-6,7-dimethoxyisoquinolin-2-ium bromide
Names & synonyms
62334-28-54-(p-Chlorobenzyl)-6,7-dimethoxy-1-ethylisoquinoline hydrobromideDimethoxy-6,7 ethyl-1 para-chlorobenzyl-4 isoquinoleine bromhydrate [French]ISOQUINOLINE, 4-(p-CHLOROBENZYL)-6,7-DIMETHOXY-1-ETHYL-, HYDROBROMIDEDimethoxy-6,7 ethyl-1 para-chlorobenzyl-4 isoquinoleine bromhydrateRefChem:3500394-(4-chlorobenzyl)-1-ethyl-6,7-dimethoxyisoquinolinium bromide
Database identifiers
- CAS
62334-28-5- PubChem CID
- 43997
Properties
Computed structural properties
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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