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Substance Name: DCN 179177
RN: 73-80-3
InChIKey: KGYGWDRZTMDSHS-UHFFFAOYSA-M

Molecular Formula

  • C12-H19-Br-N.C7-H7-O3-S

Molecular Weight

  • 428.3884
 
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Names and Synonyms

Results Name

  • DCN 179177

Synonyms

  • 2-Bromo-N,N-diethyl-N-methylbenzenemethanaminium salt with 4-methylbenzenesulfonic acid (1:1)
  • Ammonium, (o-bromobenzyl)diethylmethyl-, p-toluenesulfonate
  • DCN-179177

Systematic Name

  • Benzenemethanaminium, 2-bromo-N,N-diethyl-N-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)

Registry Numbers

CAS Registry Number

  • 73-80-3

System Generated Number

  • 0000073803

Molecular Formulas

Molecular Formula

  • C12-H19-Br-N.C7-H7-O3-S

Molecular Formula Fragments

  • C12-H19-Br-N
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C12H19BrN.C7H8O3S/c1-4-14(3,5-2)10-11-8-6-7-9-12(11)13;1-6-2-4-7(5-3-6)11(8,9)10/h6-9H,4-5,10H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChIKey

KGYGWDRZTMDSHS-UHFFFAOYSA-M

Smiles

CC[N+](C)(CC)Cc1ccccc1Br.Cc1ccc(cc1)S(=O)(=O)[O-]