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Substance Name: Piperidinium, 1-(carboxymethyl)-1-(3-(p-methylbenzyl)-2-butenyl)-, chloride, methyl ester
RN: 52171-90-1
InChIKey: YTRSZABYICDUAG-NWBUNABESA-M

Molecular Formula

  • C20-H30-N-O2.Cl

Molecular Weight

  • 351.915
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 52171-90-1

System Generated Number

  • 0052171901

Molecular Formulas

Molecular Formula

  • C20-H30-N-O2.Cl

Molecular Formula Fragments

  • C20-H30-N-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C20H30NO2.ClH/c1-17-7-9-19(10-8-17)15-18(2)11-14-21(16-20(22)23-3)12-5-4-6-13-21;/h7-11H,4-6,12-16H2,1-3H3;1H/q+1;/p-1/b18-11+;

InChIKey

YTRSZABYICDUAG-NWBUNABESA-M

Smiles

Cc1ccc(cc1)C/C(=C/C[N+]2(CCCCC2)CC(=O)OC)/C.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 71mg/kg (71mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.
rat LD50 intraperitoneal 71mg/kg (71mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.