Basic information
- CAS
61189-97-7- Standard SMILES
COc1cc2c(Cc3ccc(Cl)cc3)c[nH+]cc2c(OC)c1OC.[Br-]- InChIKey
GXXOQDZFIZORAO-UHFFFAOYSA-N- Molecular formula
- C19H19BrClNO3
- Average molar mass
- 424.7 g/mol
- Monoisotopic mass
- 423.02368
Names & identifiers
- Preferred name
- Isoquinoline, 4-(p-chlorobenzyl)-5,6,7-trimethoxy-, hydrobromide
- IUPAC
- 4-[(4-chlorophenyl)methyl]-6,7,8-trimethoxyisoquinolin-2-ium bromide
Names & synonyms
4-(p-Chlorobenzyl)-5,6,7-trimethoxyisoquinoline hydrobromide61189-97-7ISOQUINOLINE, 4-(p-CHLOROBENZYL)-5,6,7-TRIMETHOXY-, HYDROBROMIDERefChem:3500384-(4-Chlorobenzyl)-6,7,8-trimethoxyisoquinolinium bromide
Database identifiers
- CAS
61189-97-7- PubChem CID
- 43575
Properties
Computed structural properties
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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