Basic information
- CAS
59444-56-3- Standard SMILES
COc1cc(Br)c(CC2=[NH+]CCc3cc(OC)c(OC)cc32)cc1OC.[Cl-]- InChIKey
QAOUFVOJFVVNEX-UHFFFAOYSA-N- Molecular formula
- C20H23BrClNO4
- Average molar mass
- 456.8 g/mol
- Monoisotopic mass
- 455.0499
Names & identifiers
- Preferred name
- 1-((2-Bromo-4,5-dimethoxyphenyl)methyl)-6,7-dimethoxy-3,4-dihydroisoquinoline--hydrogen chloride (1/1)
- IUPAC
- 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium chloride
Names & synonyms
DTXSID809748511-((2-Bromo-4,5-dimethoxyphenyl)methyl)-6,7-dimethoxy-3,4-dihydroisoquinoline--hydrogen chloride (1/1)RefChem:1053625DTXCID9014022703,4-Dihydro-1-((2-bromo-4,5-dimethoxy)benzyl)-6,7-dimethoxyisoquinoline hydrochloride59444-56-36'-Bromo-dihydropapaverine hydrochlorideIsoquinoline, 3,4-dihydro-1-((2-bromo-4,5-dimethoxy)benzyl)-6,7-dimethoxy-, hydrochlorideIsoquinoline, 3,4-dihydro-1-((2-bromo-4,5-dimethoxyphenyl)methyl)-6,7-dimethoxy-, HCl
Database identifiers
- CAS
59444-56-3- PubChem CID
- 43028
Properties
Computed structural properties
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 488
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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