Molecule Editor

Molecule ID: FYI-1003725 Edit

Molecule Structure InChIKey: HFZASHFXCBCUEL-ZCWIXOAQSA-N

Molecule Structure SMILES String: CCC4C[N@+]3(C)[C@@H](C(O)O)CC2C1CCCCC1NC2[C@H]3C[C@H]4CCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1003725
FYIcenter.com

 26 29  0  0  1  0  0  0  0  0999 V2000
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7711    8.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5940    9.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0246   10.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322   10.9273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8094    9.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3788    8.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8094    7.2368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  6  0  0  0
  7  5  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
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 17  9  1  0  0  0  0
 18 17  1  0  0  0  0
 18  5  1  0  0  0  0
 18 19  1  6  0  0  0
 20 19  1  0  0  0  0
 20  3  1  0  0  0  0
 20 21  1  6  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
  7 24  1  6  0  0  0
 25 24  1  0  0  0  0
 26 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003725-3D
FYIcenter.com

 65 68  0  0  1  0  0  0  0  0999 V2000
    1.2104   -0.9377    1.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5165   -1.1458    0.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7341   -0.0132   -0.6133 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7779    0.1052   -1.8251 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6602    1.6265   -2.1148 N   0  3  2  0  0  0  0  0  0  0  0  0
    0.6598    2.1396   -1.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0785    1.9726   -3.5642 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1093    1.1002   -4.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2296    1.1113   -3.2436 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3165   -0.2408   -4.2656 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8024    3.4994   -3.5856 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0954    4.2885   -3.3473 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9766    5.7843   -3.0510 C   0  0  3  0  0  0  0  0  0  0  0  0
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    2.5900    7.0141   -5.2307 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0237    7.1222   -4.7229 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2244    7.0960   -3.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3579    6.1143   -2.4420 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0330    4.7923   -2.2803 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9264    3.8476   -2.1356 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1447    2.3307   -2.1792 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2300    1.7588   -1.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1271    0.2240   -1.2197 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2943   -0.5872   -0.6465 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5835   -0.4641   -1.4689 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3137   -0.6150   -2.8591 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$