N-Hexylpilocarpinium iodide

3-ethyl-4-[(3-hexyl-3-methylimidazol-3-ium-4-yl)methyl]oxolan-2-one iodide

CAS: 63868-84-8

Molecular Formula	`C17H29IN2O2`
Molecular Weight	420.3 g/mol
Topological Polar Surface Area	38.7 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	8
Exact Mass	420.12738
Heavy Atoms	22
Complexity	431.0

Chemical Identifiers

CAS Number	63868-84-8
SMILES	`CCCCCC[N+]1(C=NC=C1CC2COC(=O)C2CC)C.[I-]`
InChIKey	`KNARRYGFWQNJAY-UHFFFAOYSA-M`

📖 Product Overview

N-Hexylpilocarpinium iodide (CAS: 63868-84-8) is a chemical compound with molecular formula C17H29IN2O2 and molecular weight 420.3 g/mol. Its IUPAC systematic name is 3-ethyl-4-[(3-hexyl-3-methylimidazol-3-ium-4-yl)methyl]oxolan-2-one iodide. Topological Polar Surface Area 38.7 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 8 Exact Mass 420.12738 Heavy Atoms 22 Complexity 431.0 InChI Key: KNARRYGFWQNJAY-UHFFFAOYSA-M. SMILES: CCCCCC[N+]1(C=NC=C1CC2COC(=O)C2CC)C.[I-].

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