Basic information
- CAS
57543-00-7- Standard SMILES
COc1ccc(CC2=[NH+]CCc3cc(OC)c(OC)cc32)cc1OC.[Br-]- InChIKey
JEMWDQUZUKAGKZ-UHFFFAOYSA-N- Molecular formula
- C20H24BrNO4
- Average molar mass
- 422.3 g/mol
- Monoisotopic mass
- 421.08887
Names & identifiers
- Preferred name
- 1-((3,4-Dimethoxyphenyl)methyl)-6,7-dimethoxy-3,4-dihydroisoquinoline--hydrogen bromide (1/1)
- IUPAC
- 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide
Names & synonyms
DTXSID609730841-((3,4-Dimethoxyphenyl)methyl)-6,7-dimethoxy-3,4-dihydroisoquinoline--hydrogen bromide (1/1)RefChem:1053637DTXCID20140054257543-00-73,4-Dihydro-1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline hydrobromideISOQUINOLINE, 3,4-DIHYDRO-6,7-DIMETHOXY-1-(3,4-DIMETHOXYBENZYL)-, HYDROBROMIDE
Database identifiers
- CAS
57543-00-7- PubChem CID
- 42415
Properties
Computed structural properties
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 455
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…