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Substance Name: Piperidinium, 1-(carboxymethyl)-1-(3-(p-methylbenzyl)-2-butenyl)-, chloride, ethyl ester
RN: 52171-91-2
InChIKey: SLPLUTBNVSMEMA-NNTHFVATSA-M

Molecular Formula

  • C21-H32-N-O2.Cl

Molecular Weight

  • 365.9418
 
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Names and Synonyms

Synonym

  • 1-(Ethoxycarbonylmethyl)-1-(3-(p-methylbenzyl)-2-butenyl)piperidinium chloride

Systematic Name

  • Piperidinium, 1-(carboxymethyl)-1-(3-(p-methylbenzyl)-2-butenyl)-, chloride, ethyl ester

Registry Numbers

CAS Registry Number

  • 52171-91-2

System Generated Number

  • 0052171912

Molecular Formulas

Molecular Formula

  • C21-H32-N-O2.Cl

Molecular Formula Fragments

  • C21-H32-N-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C21H32NO2.ClH/c1-4-24-21(23)17-22(13-6-5-7-14-22)15-12-19(3)16-20-10-8-18(2)9-11-20;/h8-12H,4-7,13-17H2,1-3H3;1H/q+1;/p-1/b19-12+;

InChIKey

SLPLUTBNVSMEMA-NNTHFVATSA-M

Smiles

CCOC(=O)C[N+]1(CCCCC1)C/C=C(\C)/Cc2ccc(cc2)C.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 15mg/kg (15mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.
rat LD50 intraperitoneal 15mg/kg (15mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.