Compound C21H28BrN3O4

6,7-dimethoxy-N'-[2-(2-methoxyphenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-2-carboximidamide bromide

CAS: 37519-65-6

Molecular Formula	`C21H28BrN3O4`
Molecular Weight	466.4 g/mol
Topological Polar Surface Area	79.7 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	465.1263
Heavy Atoms	29
Complexity	504.0

Chemical Identifiers

CAS Number	37519-65-6
SMILES	`COC1=CC=CC=C1OCCN=C(N)[NH+]2CCC3=CC(=C(C=C3C2)OC)OC.[Br-]`
InChIKey	`IINJLRJIHZBHCW-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H28BrN3O4 (CAS: 37519-65-6) is a chemical compound with molecular formula C21H28BrN3O4 and molecular weight 466.4 g/mol. Its IUPAC systematic name is 6,7-dimethoxy-N'-[2-(2-methoxyphenoxy)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-2-carboximidamide bromide. Topological Polar Surface Area 79.7 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 8 Exact Mass 465.1263 Heavy Atoms 29 Complexity 504.0 InChI Key: IINJLRJIHZBHCW-UHFFFAOYSA-N. SMILES: COC1=CC=CC=C1OCCN=C(N)[NH+]2CCC3=CC(=C(C=C3C2)OC)OC.[Br-].

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