3-Benzyl-6,7-dimethoxy-3,4-dihydroisoquinoline--hydrogen bromide (1/1)

HCID 42416

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Basic information

CAS: 57543-06-3
Standard SMILES: COc1cc2c(cc1OC)CC(Cc1ccccc1)[NH+]=C2.[Br-]
InChIKey: KJWZFLSYQGCRDD-UHFFFAOYSA-N
Molecular formula: C18H20BrNO2
Average molar mass: 362.3 g/mol
Monoisotopic mass: 361.06774

Names & identifiers

Preferred name: 3-Benzyl-6,7-dimethoxy-3,4-dihydroisoquinoline--hydrogen bromide (1/1)
IUPAC: 3-benzyl-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium bromide

Names & synonyms

57543-06-3DTXSID209730853-Benzyl-6,7-dimethoxy-3,4-dihydroisoquinoline--hydrogen bromide (1/1)RefChem:1067389DTXCID901400543ISOQUINOLINE, 3,4-DIHYDRO-3-BENZYL-6,7-DIMETHOXY-, HYDROBROMIDE3-Benzyl-3,4-dihydro-6,7-dimethoxyisoquinoline hydrobromideIsoquinoline, 3-benzyl-3,4-dihydro-6,7-dimethoxy-, hydrobromide

Database identifiers

CAS: 57543-06-3
PubChem CID: 42416

Properties

Computed structural properties

Topological polar surface area: 32.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 351

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