Compound C20H21BrClNO2

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

CAS: 62334-28-5

Molecular Formula	`C20H21BrClNO2`
Molecular Weight	422.7 g/mol
Topological Polar Surface Area	32.6 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	5
Exact Mass	421.04443
Heavy Atoms	25
Complexity	386.0

Chemical Identifiers

CAS Number	62334-28-5
SMILES	`CCC1=[NH+]C=C(C2=CC(=C(C=C21)OC)OC)CC3=CC=C(C=C3)Cl.[Br-]`
InChIKey	`NMHCHTCVEYCSRL-UHFFFAOYSA-N`

📖 Product Overview

Compound C20H21BrClNO2 (CAS: 62334-28-5) is a chemical compound with molecular formula C20H21BrClNO2 and molecular weight 422.7 g/mol. Its IUPAC systematic name is 4-[(4-chlorophenyl)methyl]-1-ethyl-6,7-dimethoxyisoquinolin-2-ium bromide. Topological Polar Surface Area 32.6 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 5 Exact Mass 421.04443 Heavy Atoms 25 Complexity 386.0 InChI Key: NMHCHTCVEYCSRL-UHFFFAOYSA-N. SMILES: CCC1=[NH+]C=C(C2=CC(=C(C=C21)OC)OC)CC3=CC=C(C=C3)Cl.[Br-].

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