1-(氯甲基)-1-甲基-4-[[6-[(2,4,6-三氟苯甲酰基)氨基]-2-吡啶基]羰基]哌啶结构式

1-(氯甲基)-1-甲基-4-[[6-[(2,4,6-三氟苯甲酰基)氨基]-2-吡啶基]羰基]哌啶
中文名称:1-(氯甲基)-1-甲基-4-[[6-[(2,4,6-三氟苯甲酰基)氨基]-2-吡啶基]羰基]哌啶
英文名称:1-(Chloromethyl)-1-methyl-4-[[6-[(2,4,6-trifluorobenzoyl)amino]-2-pyridinyl]carbonyl]piperidinium
CAS No.:1338000-33-1
分子式:C20H20ClF3N3O2 分子量:426.84
1-(氯甲基)-1-甲基-4-[[6-[(2,4,6-三氟苯甲酰基)氨基]-2-吡啶基]羰基]哌啶 数据
Mol:
0  0  0
   10.2773   -0.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7495   -1.1436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2696   -2.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2648   -2.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7629   -2.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2759   -3.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2693   -3.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4934   -0.8362    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.5338   -0.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5409   -1.8011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  5  2  0  0  0  0
  4  3  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  2  0  0  0  0
  7  6  1  0  0  0  0
  8  9  1  0  0  0  0
  8  2  1  0  0  0  0
  9 11  2  0  0  0  0
 10  9  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 26  1  0  0  0  0
 14 15  1  0  0  0  0
 15 24  2  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 15  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 29  1  0  0  0  0
 22 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 28  1  0  0  0  0
 28 21  1  0  0  0  0
M  CHG  1  21   1
M  END                                
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1-(氯甲基)-1-甲基-4-[[6-[(2,4,6-三氟苯甲酰基)氨基]-2-吡啶基]羰基]哌啶 Smile 编码:
C1C(F)=CC(F)=C(C=1F)C(NC1C=CC=C(C(C2CC[N+](CCl)(C)CC2)=O)N=1)=O
1-(氯甲基)-1-甲基-4-[[6-[(2,4,6-三氟苯甲酰基)氨基]-2-吡啶基]羰基]哌啶 InChi 编码:
1S/C20H19ClF3N3O2/c1-27(11-21)7-5-12(6-8-27)19(28)16-3-2-4-17(25-16)26-20(29)18-14(23)9-13(22)10-15(18)24/h2-4,9-10,12H,5-8,11H2,1H3/p+1
1-(氯甲基)-1-甲基-4-[[6-[(2,4,6-三氟苯甲酰基)氨基]-2-吡啶基]羰基]哌啶 InChiKey 编码:
WZNIETSTOXLFJD-UHFFFAOYSA-O