octyl 2-[1-[(E)-4-(2-chlorophenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate,chloride

Modify Date: 2025-09-19 15:34:04

octyl 2-[1-[(E)-4-(2-chlorophenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate,chloride Structure
octyl 2-[1-[(E)-4-(2-chlorophenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate,chloride structure
Common Name octyl 2-[1-[(E)-4-(2-chlorophenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate,chloride
CAS Number 52171-89-8 Molecular Weight 456.48900
Density N/A Boiling Point N/A
Molecular Formula C25H39Cl2NO2 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name octyl 2-[1-[(E)-4-(2-chlorophenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate,chloride
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C25H39Cl2NO2
Molecular Weight 456.48900
Exact Mass 455.23600
PSA 26.30000
LogP 3.30590
InChIKey VLLLVHYXPDHYCX-RSGUCCNWSA-M
SMILES CCCCCCCCOC(=O)C[N+]1(CC=CCc2ccccc2Cl)CCCCC1.[Cl-]

 Synonyms

1-(4-(o-Chlorophenyl)-2-butenyl)-1-(octyloxycarbonylmethyl)piperidinium chloride
octyl 2-[1-[(E)-4-(2-chlorophenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate chloride
Piperidinium,1-(carboxymethyl)-1-(4-(o-chlorophenyl)-2-butenyl)-,chloride,octyl ester
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