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Substance Name: (1)-(3-Cyano-3-(3,4-dimethoxyphenyl)hex-6-yl)(5,6-dimethoxyphenethyl)methylammonium chloride
RN: 23313-68-0
InChIKey: DOQPXTMNIUCOSY-UHFFFAOYSA-N

Molecular Formula

  • C27-H38-N2-O4.Cl-H

Molecular Weight

  • 491.0681
 
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Names and Synonyms

Synonym

  • EINECS 245-579-2

Systematic Name

  • (1)-(3-Cyano-3-(3,4-dimethoxyphenyl)hex-6-yl)(5,6-dimethoxyphenethyl)methylammonium chloride

Registry Numbers

CAS Registry Number

  • 23313-68-0

System Generated Number

  • 0023313680

Molecular Formulas

Molecular Formula

  • C27-H38-N2-O4.Cl-H

Molecular Formula Fragments

  • C27-H38-N2-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C27H38N2O4.ClH/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6;/h9-12,17-18,20H,8,13-16H2,1-7H3;1H

InChIKey

DOQPXTMNIUCOSY-UHFFFAOYSA-N

Smiles

[Cl-].COc1ccc(CC[NH+](C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC