Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-(o-fluorobenzyl)-, hydrobromide

HCID 35917

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Basic information

CAS: 31756-24-8
Standard SMILES: COc1cc2c(cc1OC)C[NH+](Cc1ccccc1F)CC2.[Br-]
InChIKey: YAQNDFSYAPPRMW-UHFFFAOYSA-N
Molecular formula: C18H21BrFNO2
Average molar mass: 382.3 g/mol

Names & identifiers

Preferred name: Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-(o-fluorobenzyl)-, hydrobromide
IUPAC: 2-[(2-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium bromide

Names & synonyms

ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-(o-FLUOROBENZYL)-, HYDROBROMIDE31756-24-8RefChem:10877436,7-Dimethoxy-2-(o-fluorobenzyl)-1,2,3,4-tetrahydroisoquinoline hydrobromideBromure de dimethoxy-6,7 tetrahydro-1,2,3,4 ortho-fluorobenzyl-2 isoquinoleine [French]Bromure de dimethoxy-6,7 tetrahydro-1,2,3,4 ortho-fluorobenzyl-2 isoquinoleine

Database identifiers

CAS: 31756-24-8
PubChem CID: 35917

Properties

Computed structural properties

Topological polar surface area: 22.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 354

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