Compound C22H27Cl2NO2

1-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-2-prop-2-enyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride

CAS: 63938-06-7

Molecular Formula	`C22H27Cl2NO2`
Molecular Weight	408.4 g/mol
Topological Polar Surface Area	22.9 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	7
Exact Mass	407.14188
Heavy Atoms	27
Complexity	438.0

Chemical Identifiers

CAS Number	63938-06-7
SMILES	`COC1=C(C=C2C([NH+](CCC2=C1)CC=C)CCC3=CC=C(C=C3)Cl)OC.[Cl-]`
InChIKey	`YMSBFNUBFGRJNW-UHFFFAOYSA-N`

📖 Product Overview

Compound C22H27Cl2NO2 (CAS: 63938-06-7) is a chemical compound with molecular formula C22H27Cl2NO2 and molecular weight 408.4 g/mol. Its IUPAC systematic name is 1-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-2-prop-2-enyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride. Topological Polar Surface Area 22.9 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 7 Exact Mass 407.14188 Heavy Atoms 27 Complexity 438.0 InChI Key: YMSBFNUBFGRJNW-UHFFFAOYSA-N. SMILES: COC1=C(C=C2C([NH+](CCC2=C1)CC=C)CCC3=CC=C(C=C3)Cl)OC.[Cl-].

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