Pentapiperium hydrogen sulfate

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

CAS: 15803-80-2

Molecular Formula	`C19H31NO6S`
Molecular Weight	401.5 g/mol
Topological Polar Surface Area	112.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	401.1872
Heavy Atoms	27
Complexity	426.0

Chemical Identifiers

CAS Number	15803-80-2
SMILES	`CCC(C)C(C1=CC=CC=C1)C(=O)OC2CC[N+](CC2)(C)C.OS(=O)(=O)[O-]`
InChIKey	`BWGIFBYVAZDWGB-UHFFFAOYSA-M`

📖 Product Overview

Pentapiperium hydrogen sulfate (CAS: 15803-80-2) is a chemical compound with molecular formula C19H31NO6S and molecular weight 401.5 g/mol. Its IUPAC systematic name is (1,1-dimethylpiperidin-1-ium-4-yl) 3-methyl-2-phenylpentanoate;hydrogen sulfate. Topological Polar Surface Area 112.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 6 Exact Mass 401.1872 Heavy Atoms 27 Complexity 426.0 InChI Key: BWGIFBYVAZDWGB-UHFFFAOYSA-M. SMILES: CCC(C)C(C1=CC=CC=C1)C(=O)OC2CC[N+](CC2)(C)C.OS(=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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