Compound C37H58I2N4

3-benzyl-9-[7-(3-benzyl-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)heptyl]-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide

CAS: 17713-12-1

Molecular Formula	`C37H58I2N4`
Molecular Weight	812.7 g/mol
Topological Polar Surface Area	6.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	12
Exact Mass	812.2751
Heavy Atoms	43
Complexity	694.0

Chemical Identifiers

CAS Number	17713-12-1
SMILES	`C[N+]1(C2CCCC1CN(C2)CC3=CC=CC=C3)CCCCCCC[N+]4(C5CCCC4CN(C5)CC6=CC=CC=C6)C.[I-].[I-]`
InChIKey	`NZVJMXGKNOLTLA-UHFFFAOYSA-L`

📖 Product Overview

Compound C37H58I2N4 (CAS: 17713-12-1) is a chemical compound with molecular formula C37H58I2N4 and molecular weight 812.7 g/mol. Its IUPAC systematic name is 3-benzyl-9-[7-(3-benzyl-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)heptyl]-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide. Topological Polar Surface Area 6.5 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 12 Exact Mass 812.2751 Heavy Atoms 43 Complexity 694.0 InChI Key: NZVJMXGKNOLTLA-UHFFFAOYSA-L. SMILES: C[N+]1(C2CCCC1CN(C2)CC3=CC=CC=C3)CCCCCCC[N+]4(C5CCCC4CN(C5)CC6=CC=CC=C6)C.[I-].[I-].

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