Basic information
- CAS
32871-94-6- Standard SMILES
COc1ccc(Cc2c[nH+]cc3cc(OC)c(OC)cc23)cc1OC.[Br-]- InChIKey
NSWASABLHWBNRH-UHFFFAOYSA-N- Molecular formula
- C20H22BrNO4
- Average molar mass
- 420.3 g/mol
- Monoisotopic mass
- 419.07322
Names & identifiers
- Preferred name
- Isoquinoline, 6,7-dimethoxy-4-(3,4-dimethoxybenzyl)-, hydrobromide
- IUPAC
- 4-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium bromide
Names & synonyms
6,7-Dimethoxy-4-(3,4-dimethoxybenzyl)isoquinoline hydrobromide32871-94-6ISOQUINOLINE, 6,7-DIMETHOXY-4-(3,4-DIMETHOXYBENZYL)-, HYDROBROMIDERefChem:350052
Database identifiers
- CAS
32871-94-6- PubChem CID
- 36268
Properties
Computed structural properties
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 407
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…