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Substance Name: NKI 42008
RN: 111076-92-7
InChIKey: WBNWZQGTXGXQQQ-UHFFFAOYSA-N

Molecular Weight

  • 422.053
 
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Names and Synonyms

Results Name

  • NKI 42008

Systematic Name

  • 1H-1,2,4-Triazolium, 1-(1,1-dimethyl-2-oxo-2-phenylethyl)-4-dodecyl-, chloride

Registry Numbers

CAS Registry Number

  • 111076-92-7

System Generated Number

  • 0111076927

Structure Descriptors

InChI

1S/C24H39N3O.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-26-20-25-27(21-26)24(2,3)23(28)22-17-14-13-15-18-22;/h13-15,17-18,20H,4-12,16,19,21H2,1-3H3;1H

InChIKey

WBNWZQGTXGXQQQ-UHFFFAOYSA-N

Smiles

[N+]1(N=CN(C1)CCCCCCCCCCCC)C(C(c1ccccc1)=O)(C)C.[ClH-]