Compound C19H20Cl3NO2

5-[2-(3,4-dichlorophenyl)ethyl]-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride

CAS: 63937-51-9

Molecular Formula	`C19H20Cl3NO2`
Molecular Weight	400.7 g/mol
Topological Polar Surface Area	22.9 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	3
Exact Mass	399.05597
Heavy Atoms	25
Complexity	438.0

Chemical Identifiers

CAS Number	63937-51-9
SMILES	`C[NH+]1CCC2=CC3=C(C=C2C1CCC4=CC(=C(C=C4)Cl)Cl)OCO3.[Cl-]`
InChIKey	`HGUSSAFZFOSXOC-UHFFFAOYSA-N`

📖 Product Overview

Compound C19H20Cl3NO2 (CAS: 63937-51-9) is a chemical compound with molecular formula C19H20Cl3NO2 and molecular weight 400.7 g/mol. Its IUPAC systematic name is 5-[2-(3,4-dichlorophenyl)ethyl]-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride. Topological Polar Surface Area 22.9 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 3 Exact Mass 399.05597 Heavy Atoms 25 Complexity 438.0 InChI Key: HGUSSAFZFOSXOC-UHFFFAOYSA-N. SMILES: C[NH+]1CCC2=CC3=C(C=C2C1CCC4=CC(=C(C=C4)Cl)Cl)OCO3.[Cl-].

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