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Substance Name: Methyl thihexinolium
RN: 114740-90-8
UNII: 32760WGL8N
InChIKey: VROKFRFJNZCFMH-SHTZXODSSA-N

Molecular Formula

  • C18-H26-N-O-S2

Molecular Weight

  • 336.5414
 
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Names and Synonyms

Name of Substance

  • Methyl thihexinolium

Synonyms

  • (4-(Hydroxydi-2-thienylmethyl)cyclohexyl)trimethylammonium
  • 4-(Hydroxydi-2-thienylmethyl)-N,N,N-trimethylcyclohexanaminium
  • Cyclohexanaminium, 4-(hydroxydi-2-thienylmethyl)-N,N,N-trimethyl-
  • Methyl thihexinolium
  • Methyl thihexinolium cation
  • Methyl thihexinolium ion
  • UNII-32760WGL8N

Registry Numbers

CAS Registry Number

  • 114740-90-8

FDA UNII

  • 32760WGL8N

System Generated Number

  • 0114740908

Structure Descriptors

InChI

1S/C18H26NOS2/c1-19(2,3)15-10-8-14(9-11-15)18(20,16-6-4-12-21-16)17-7-5-13-22-17/h4-7,12-15,20H,8-11H2,1-3H3/q+1/t14-,15-

InChIKey

VROKFRFJNZCFMH-SHTZXODSSA-N

Smiles

C[N+]([C@H]1CC[C@@H](CC1)C(O)(c2sccc2)c3sccc3)(C)C