Pentapiperium methylsulfate

(1,1-dimethylpiperidin-1-ium-4-yl) 3-methyl-2-phenylpentanoate;methyl sulfate

CAS: 7681-80-3

Molecular Formula	`C20H33NO6S`
Molecular Weight	415.5 g/mol
Topological Polar Surface Area	101.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	415.20285
Heavy Atoms	28
Complexity	441.0

Chemical Identifiers

CAS Number	7681-80-3
SMILES	`CCC(C)C(C1=CC=CC=C1)C(=O)OC2CC[N+](CC2)(C)C.COS(=O)(=O)[O-]`
InChIKey	`YGURFDXYQNOJCS-UHFFFAOYSA-M`

📖 Product Overview

Pentapiperium methylsulfate (CAS: 7681-80-3) is a chemical compound with molecular formula C20H33NO6S and molecular weight 415.5 g/mol. Its IUPAC systematic name is (1,1-dimethylpiperidin-1-ium-4-yl) 3-methyl-2-phenylpentanoate;methyl sulfate. Topological Polar Surface Area 101.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 6 Exact Mass 415.20285 Heavy Atoms 28 Complexity 441.0 InChI Key: YGURFDXYQNOJCS-UHFFFAOYSA-M. SMILES: CCC(C)C(C1=CC=CC=C1)C(=O)OC2CC[N+](CC2)(C)C.COS(=O)(=O)[O-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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