Molecule Editor

Molecule ID: FYI-1016190 Edit

Molecule Structure InChIKey: GQQQULCEHJQUJT-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)N1CCC(N)CC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016190
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016190-3D
FYIcenter.com

 28 28  0     0  0  0  0  0  0999 V2000
    2.0709   -0.3586   -0.0535 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5995    1.8522    0.2843 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0754    0.3984   -0.4108 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9593   -0.8052    0.7361 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8441   -0.3748   -0.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3385    0.9989    0.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7124   -1.4095   -0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1139    1.4278   -0.4492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4972   -0.9383   -0.8436 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2305    0.7230   -0.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4306   -0.1090    0.3208 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2094   -1.4048    0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2009   -0.2946   -1.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0702    0.9598    1.4209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1278    1.7527    0.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0556   -2.3738   -0.4399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4118   -1.5751    0.9973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3816    1.5829   -1.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7313    2.3783   -0.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3122   -1.6662   -0.7423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7432   -0.8703   -1.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3195   -1.6967    0.3984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7250   -0.1370    0.6592 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8677    0.6273   -0.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4615    0.2799    1.3446 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2551   -1.2504    0.5226 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7724   -2.1576    0.9068 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1718   -1.8160   -0.7718 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 10  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
M  END
$$$$