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Substance Name: Piperidinium, 1-(2-(2,2,4,4-tetramethylvaleryloxy)ethyl)-1-methyl-, iodide
RN: 32058-55-2
InChIKey: DZOWISGOPUOEPI-UHFFFAOYSA-M

Molecular Formula

  • C17-H34-N-O2.I

Molecular Weight

  • 411.361
 
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Names and Synonyms

Synonyms

  • 1-(2-(2,2,4,4-Tetramethylvaleryloxy)ethyl)-1-methylpiperidinium iodide
  • 2-Piperidinoethyl 2,2,4,4-tetramethylvalerate methiodide
  • Valeric acid, 2,2,4,4-tetramethyl-, 2-piperidinoethyl ester, methiodide

Systematic Name

  • Piperidinium, 1-(2-(2,2,4,4-tetramethylvaleryloxy)ethyl)-1-methyl-, iodide

Registry Numbers

CAS Registry Number

  • 32058-55-2

System Generated Number

  • 0032058552

Molecular Formulas

Molecular Formula

  • C17-H34-N-O2.I

Molecular Formula Fragments

  • C17-H34-N-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C17H34NO2.HI/c1-16(2,3)14-17(4,5)15(19)20-13-12-18(6)10-8-7-9-11-18;/h7-14H2,1-6H3;1H/q+1;/p-1

InChIKey

DZOWISGOPUOEPI-UHFFFAOYSA-M

Smiles

[N+]1(CCCCC1)(CCOC(C(CC(C)(C)C)(C)C)=O)C.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 131mg/kg (131mg/kg)   Chimica Therapeutica. Vol. 6, Pg. 131, 1971.