Compound C28H38I2N2O4

6-[4-(6,7-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl)butyl]-6,7-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium diiodide

CAS: 20320-91-6

Molecular Formula	`C28H38I2N2O4`
Molecular Weight	720.4 g/mol
Topological Polar Surface Area	36.9 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	720.0921
Heavy Atoms	36
Complexity	677.0

Chemical Identifiers

CAS Number	20320-91-6
SMILES	`CC1CC2=CC3=C(C=C2C[N+]1(C)CCCC[N+]4(CC5=CC6=C(C=C5CC4C)OCO6)C)OCO3.[I-].[I-]`
InChIKey	`HBDQZBSJONHERA-UHFFFAOYSA-L`

📖 Product Overview

Compound C28H38I2N2O4 (CAS: 20320-91-6) is a chemical compound with molecular formula C28H38I2N2O4 and molecular weight 720.4 g/mol. Its IUPAC systematic name is 6-[4-(6,7-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl)butyl]-6,7-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium diiodide. Topological Polar Surface Area 36.9 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 5 Exact Mass 720.0921 Heavy Atoms 36 Complexity 677.0 InChI Key: HBDQZBSJONHERA-UHFFFAOYSA-L. SMILES: CC1CC2=CC3=C(C=C2C[N+]1(C)CCCC[N+]4(CC5=CC6=C(C=C5CC4C)OCO6)C)OCO3.[I-].[I-].

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