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Substance Name: 1-Propanaminium, N,N,N-trimethyl-3-(4-(1-methyl-1-phenylethyl)phenoxy)-, chloride (1:1)
RN: 68928-63-2
InChIKey: NXALIGSWMVWYHB-UHFFFAOYSA-M

Molecular Formula

  • C21-H30-N-O.Cl

Molecular Weight

  • 347.927
 
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Names and Synonyms

Synonyms

  • 3-(4-(alpha-Cumyl)phenoxy)propyltrimethylammonium chloride
  • EINECS 273-027-0

Systematic Names

  • 1-Propanaminium, N,N,N-trimethyl-3-(4-(1-methyl-1-phenylethyl)phenoxy)-, chloride
  • 1-Propanaminium, N,N,N-trimethyl-3-(4-(1-methyl-1-phenylethyl)phenoxy)-, chloride (1:1)
  • 3-(4-(1-Methyl-1-phenylethyl)phenoxy)propyltrimethylammonium chloride

Registry Numbers

CAS Registry Number

  • 68928-63-2

System Generated Number

  • 0068928632

Molecular Formulas

Molecular Formula

  • C21-H30-N-O.Cl

Molecular Formula Fragments

  • C21-H30-N-O
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C21H30NO.ClH/c1-21(2,18-10-7-6-8-11-18)19-12-14-20(15-13-19)23-17-9-16-22(3,4)5;/h6-8,10-15H,9,16-17H2,1-5H3;1H/q+1;/p-1

InChIKey

NXALIGSWMVWYHB-UHFFFAOYSA-M

Smiles

C(c1ccc(cc1)OCCC[N+](C)(C)C)(c1ccccc1)(C)C.[ClH-]