Compound C21H20Cl2N2O2

2-isoquinolin-2-ium-1-yl-1-(6-methoxyquinolin-1-ium-4-yl)ethanol dichloride

CAS: 63919-13-1

Molecular Formula	`C21H20Cl2N2O2`
Molecular Weight	403.3 g/mol
Topological Polar Surface Area	57.7 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	402.09018
Heavy Atoms	27
Complexity	432.0

Chemical Identifiers

CAS Number	63919-13-1
SMILES	`COC1=CC2=C(C=C[NH+]=C2C=C1)C(CC3=[NH+]C=CC4=CC=CC=C43)O.[Cl-].[Cl-]`
InChIKey	`KTUXEHNBBHDTPH-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H20Cl2N2O2 (CAS: 63919-13-1) is a chemical compound with molecular formula C21H20Cl2N2O2 and molecular weight 403.3 g/mol. Its IUPAC systematic name is 2-isoquinolin-2-ium-1-yl-1-(6-methoxyquinolin-1-ium-4-yl)ethanol dichloride. Topological Polar Surface Area 57.7 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 4 Rotatable Bonds 4 Exact Mass 402.09018 Heavy Atoms 27 Complexity 432.0 InChI Key: KTUXEHNBBHDTPH-UHFFFAOYSA-N. SMILES: COC1=CC2=C(C=C[NH+]=C2C=C1)C(CC3=[NH+]C=CC4=CC=CC=C43)O.[Cl-].[Cl-].

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