Compound C39H40Cl2N2O6

1-[[4-[5-[(6,7-dimethoxy-2-methylisoquinolin-2-ium-1-yl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methylisoquinolin-2-ium dichloride

CAS: 22297-48-9

Molecular Formula	`C39H40Cl2N2O6`
Molecular Weight	703.6 g/mol
Topological Polar Surface Area	63.1 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	11
Exact Mass	702.2263
Heavy Atoms	49
Complexity	948.0

Chemical Identifiers

CAS Number	22297-48-9
SMILES	`C[N+]1=C(C2=CC(=C(C=C2C=C1)OC)OC)CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5=[N+](C=CC6=CC(=C(C=C65)OC)OC)C)OC.[Cl-].[Cl-]`
InChIKey	`ATHVKCMBCNQGIZ-UHFFFAOYSA-L`

📖 Product Overview

Compound C39H40Cl2N2O6 (CAS: 22297-48-9) is a chemical compound with molecular formula C39H40Cl2N2O6 and molecular weight 703.6 g/mol. Its IUPAC systematic name is 1-[[4-[5-[(6,7-dimethoxy-2-methylisoquinolin-2-ium-1-yl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methylisoquinolin-2-ium dichloride. Topological Polar Surface Area 63.1 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 8 Rotatable Bonds 11 Exact Mass 702.2263 Heavy Atoms 49 Complexity 948.0 InChI Key: ATHVKCMBCNQGIZ-UHFFFAOYSA-L. SMILES: C[N+]1=C(C2=CC(=C(C=C2C=C1)OC)OC)CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5=[N+](C=CC6=CC(=C(C=C65)OC)OC)C)OC.[Cl-].[Cl-].

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