Dimethoxy-6,7 benzyl-1 para-chlorobenzyl-4 isoquinoleine bromhydrate [French]

1-benzyl-4-[(4-chlorophenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium bromide

CAS: 62334-32-1

Molecular Formula	`C25H23BrClNO2`
Molecular Weight	484.8 g/mol
Topological Polar Surface Area	32.6 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	6
Exact Mass	483.06006
Heavy Atoms	30
Complexity	489.0

Chemical Identifiers

CAS Number	62334-32-1
SMILES	`COC1=C(C=C2C(=C1)C(=C[NH+]=C2CC3=CC=CC=C3)CC4=CC=C(C=C4)Cl)OC.[Br-]`
InChIKey	`ICEIWPOMHQRZSI-UHFFFAOYSA-N`

📖 Product Overview

Dimethoxy-6,7 benzyl-1 para-chlorobenzyl-4 isoquinoleine bromhydrate [French] (CAS: 62334-32-1) is a chemical compound with molecular formula C25H23BrClNO2 and molecular weight 484.8 g/mol. Its IUPAC systematic name is 1-benzyl-4-[(4-chlorophenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium bromide. Topological Polar Surface Area 32.6 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 6 Exact Mass 483.06006 Heavy Atoms 30 Complexity 489.0 InChI Key: ICEIWPOMHQRZSI-UHFFFAOYSA-N. SMILES: COC1=C(C=C2C(=C1)C(=C[NH+]=C2CC3=CC=CC=C3)CC4=CC=C(C=C4)Cl)OC.[Br-].

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