1H-Imidazolium,3-(carboxymethyl)-4,5-dihydro-1-(2-hydroxyethyl)-2-tridecyl-, inner salt结构式

1H-Imidazolium,3-(carboxymethyl)-4,5-dihydro-1-(2-hydroxyethyl)-2-tridecyl-, inner salt
英文名称:1H-Imidazolium,3-(carboxymethyl)-4,5-dihydro-1-(2-hydroxyethyl)-2-tridecyl-, inner salt
CAS No.:93919-84-7
分子式:C20H38N2O3 分子量:354.52732
1H-Imidazolium,3-(carboxymethyl)-4,5-dihydro-1-(2-hydroxyethyl)-2-tridecyl-, inner salt 数据
Mol:
00 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6094    1.5984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4094    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.7788    1.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2431    1.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0790    3.0685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193    3.8535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597    3.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 14  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  CHG  1  15   1
M  CHG  1  19  -1
M  END                                
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1H-Imidazolium,3-(carboxymethyl)-4,5-dihydro-1-(2-hydroxyethyl)-2-tridecyl-, inner salt Smile 编码:
CCCCCCCCCCCCCC1N(CCO)CC[N+]=1CC([O-])=O
1H-Imidazolium,3-(carboxymethyl)-4,5-dihydro-1-(2-hydroxyethyl)-2-tridecyl-, inner salt InChi 编码:
InChI=1S/C20H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-21(16-17-23)14-15-22(19)18-20(24)25/h23H,2-18H2,1H3
1H-Imidazolium,3-(carboxymethyl)-4,5-dihydro-1-(2-hydroxyethyl)-2-tridecyl-, inner salt InChiKey 编码:
RZTZIOCCSULGIY-UHFFFAOYSA-N