Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-(m-fluorobenzyl)-, hydrobromide
Basic information
- CAS
31756-26-0- Standard SMILES
COc1cc2c(cc1OC)C[NH+](Cc1cccc(F)c1)CC2.[Br-]- InChIKey
BTHUYFLICGHYRQ-UHFFFAOYSA-N- Molecular formula
- C18H21BrFNO2
- Average molar mass
- 382.3 g/mol
- Monoisotopic mass
- 381.07397
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-(m-fluorobenzyl)-, hydrobromide
- IUPAC
- 2-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium bromide
Names & synonyms
31756-26-0ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-(m-FLUOROBENZYL)-, HYDROBROMIDERefChem:10877426,7-Dimethoxy-2-(m-fluorobenzyl)-1,2,3,4-tetrahydroisoquinoline hydrobromideBromure de dimethoxy-6,7 tetrahydro-1,2,3,4 meta-fluorobenzyl-2 isoquinoleine [French]Bromure de dimethoxy-6,7 tetrahydro-1,2,3,4 meta-fluorobenzyl-2 isoquinoleine
Database identifiers
- CAS
31756-26-0- PubChem CID
- 35919
Properties
Computed structural properties
- Topological polar surface area
- 22.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 354
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Compound notes
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