Basic information
- CAS
36113-31-2- Standard SMILES
COc1cc2c(cc1OC)C(Cc1cccc(F)c1)=[NH+]CC2.[Br-]- InChIKey
HXBSROPUJCXUHI-UHFFFAOYSA-N- Molecular formula
- C18H19BrFNO2
- Average molar mass
- 380.3 g/mol
- Monoisotopic mass
- 379.05832
Names & identifiers
- Preferred name
- Isoquinoline, 3,4-dihydro-6,7-dimethoxy-1-(m-fluorobenzyl)-, hydrobromide
- IUPAC
- 1-[(3-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide
Names & synonyms
36113-31-26,7-Dimethoxy-1-(m-fluorobenzyl)-3,4-dihydroisoquinoline hydrobromideBromure de dimethoxy-6,7 dihydro-3,4 meta-fluorobenzyl-1 isoquinoleinium [French]ISOQUINOLINE, 3,4-DIHYDRO-6,7-DIMETHOXY-1-(m-FLUOROBENZYL)-, HYDROBROMIDEBromure de dimethoxy-6,7 dihydro-3,4 meta-fluorobenzyl-1 isoquinoleiniumRefChem:350020
Database identifiers
- CAS
36113-31-2- PubChem CID
- 37376
Properties
Computed structural properties
- Topological polar surface area
- 32.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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