Compound C22H27ClN2O4

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

CAS: 63938-07-8

Molecular Formula	`C22H27ClN2O4`
Molecular Weight	418.9 g/mol
Topological Polar Surface Area	68.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	418.16592
Heavy Atoms	29
Complexity	515.0

Chemical Identifiers

CAS Number	63938-07-8
SMILES	`COC1=C(C=C2C([NH+](CCC2=C1)CC=C)CCC3=CC=C(C=C3)[N+](=O)[O-])OC.[Cl-]`
InChIKey	`NPXVUKFDUUECTA-UHFFFAOYSA-N`

📖 Product Overview

Compound C22H27ClN2O4 (CAS: 63938-07-8) is a chemical compound with molecular formula C22H27ClN2O4 and molecular weight 418.9 g/mol. Its IUPAC systematic name is 6,7-dimethoxy-1-[2-(4-nitrophenyl)ethyl]-2-prop-2-enyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride. Topological Polar Surface Area 68.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 7 Exact Mass 418.16592 Heavy Atoms 29 Complexity 515.0 InChI Key: NPXVUKFDUUECTA-UHFFFAOYSA-N. SMILES: COC1=C(C=C2C([NH+](CCC2=C1)CC=C)CCC3=CC=C(C=C3)[N+](=O)[O-])OC.[Cl-].

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