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Substance Name: R 111
RN: 42064-87-9
InChIKey: NMJQBLVCTWZTJG-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H32-N-O.Br

Molecular Weight

  • 418.416
 
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Names and Synonyms

Name of Substance

  • R 111

Synonym

  • 2-Tolyl 1-phenyl-3-(2-methylpiperidinio)propyl ether methyl bromide

Systematic Names

  • 1,2-Dimethyl-1-(3-(2-methylphenoxy)-3-phenylpropyl)piperidinium, bromide
  • Piperidinium, 1,2-dimethyl-1-(3-(2-methylphenoxy)-3-phenylpropyl)-, bromide

Registry Numbers

CAS Registry Number

  • 42064-87-9

System Generated Number

  • 0042064879

Molecular Formulas

Molecular Formula

  • C23-H32-N-O.Br

Molecular Formula Fragments

  • Br
  • C23-H32-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C23H32NO.BrH/c1-19-11-7-8-15-22(19)25-23(21-13-5-4-6-14-21)16-18-24(3)17-10-9-12-20(24)2;/h4-8,11,13-15,20,23H,9-10,12,16-18H2,1-3H3;1H/q+1;/p-1

InChIKey

NMJQBLVCTWZTJG-UHFFFAOYSA-M

Smiles

C1[C@@H]([N@@+](CCC1)(CC[C@@H](c1ccccc1)Oc1c(cccc1)C)C)C.[BrH-]