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Substance Name: Pyrrolidinium, 1-methyl-1-(2-(2-(1-naphthyl)-4-hexenyloxy)ethyl)-, iodide
RN: 5991-40-2
InChIKey: QMEXLALIUOHEML-BJILWQEISA-M

Molecular Formula

  • C23-H32-N-O.I

Molecular Weight

  • 465.412
 
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Names and Synonyms

Synonym

  • 1-Methyl-1-(2-(2-(1-naphthyl)-4-hexenyloxy)ethyl)pyrrolidinium iodide

Systematic Name

  • Pyrrolidinium, 1-methyl-1-(2-(2-(1-naphthyl)-4-hexenyloxy)ethyl)-, iodide

Registry Numbers

CAS Registry Number

  • 5991-40-2

System Generated Number

  • 0005991402

Molecular Formulas

Molecular Formula

  • C23-H32-N-O.I

Molecular Formula Fragments

  • C23-H32-N-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C23H32NO.HI/c1-3-4-10-21(19-25-18-17-24(2)15-7-8-16-24)23-14-9-12-20-11-5-6-13-22(20)23;/h3-6,9,11-14,21H,7-8,10,15-19H2,1-2H3;1H/q+1;/p-1/b4-3+;

InChIKey

QMEXLALIUOHEML-BJILWQEISA-M

Smiles

[N+]1(CCCC1)(CCOC[C@@H](C\C=C\C)c1cccc2ccccc12)C.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 10mg/kg (10mg/kg)   Chimica Therapeutica. Vol. 3, Pg. 121, 1968.