Basic information
- CAS
61189-92-2- Standard SMILES
COc1ccc(Cc2c[nH+]cc3cc(OC)c(OC)cc23)cc1.[Br-]- InChIKey
WUVJYVSHHQDPQO-UHFFFAOYSA-N- Molecular formula
- C19H20BrNO3
- Average molar mass
- 390.3 g/mol
- Monoisotopic mass
- 389.06266
Names & identifiers
- Preferred name
- Isoquinoline, 6,7-dimethoxy-4-(p-methoxybenzyl)-, hydrobromide
- IUPAC
- 6,7-dimethoxy-4-[(4-methoxyphenyl)methyl]isoquinolin-2-ium bromide
Names & synonyms
6,7-Dimethoxy-4-(p-methoxybenzyl)isoquinoline hydrobromideISOQUINOLINE, 6,7-DIMETHOXY-4-(p-METHOXYBENZYL)-, HYDROBROMIDE61189-92-2RefChem:350058
Database identifiers
- CAS
61189-92-2- PubChem CID
- 43568
Properties
Computed structural properties
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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