Isoquinoline, 1,2,3,4-tetrahydro-2-benzyl-6,7-dimethoxy-, hydrobromide

HCID 35913

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Basic information

CAS: 31756-15-7
Standard SMILES: COc1cc2c(cc1OC)C[NH+](Cc1ccccc1)CC2.[Br-]
InChIKey: NHMWEBZBZYZFHT-UHFFFAOYSA-N
Molecular formula: C18H22BrNO2
Average molar mass: 364.3 g/mol
Monoisotopic mass: 363.08339

Names & identifiers

Preferred name: Isoquinoline, 1,2,3,4-tetrahydro-2-benzyl-6,7-dimethoxy-, hydrobromide
IUPAC: 2-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium bromide

Names & synonyms

31756-15-7ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-2-BENZYL-6,7-DIMETHOXY-, HYDROBROMIDERefChem:10877242-Benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrobromide2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-ium bromide

Database identifiers

CAS: 31756-15-7
PubChem CID: 35913

Properties

Computed structural properties

Topological polar surface area: 22.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 316

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