Molecule Editor

Molecule ID: FYI-1015293 Edit

Molecule Structure InChIKey: WKDUSFAYYAZRTO-UHFFFAOYSA-N

Molecule Structure SMILES String: CCn2c[n+](CC)c1ccccc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1015293
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    6.8559    4.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6434    4.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4310    4.0553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1521    4.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2153    3.5844    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.9153    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4827    1.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4195    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7888    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2214    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2846    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5981    0.0000 C   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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 11  3  1  0  0  0  0
 12  5  1  0  0  0  0
 13 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015293-3D
FYIcenter.com

 28 29  0     0  0  0  0  0  0999 V2000
    1.0816   -0.8765    0.3441 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.0822   -0.8759    0.3441 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6987    0.4358    0.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6983    0.4361    0.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0006   -1.6539    0.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4462   -1.3611    0.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4470   -1.3596    0.4136 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4462    1.5959   -0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4451    1.5967   -0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9664   -1.7450   -0.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9675   -1.7433   -0.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7064    2.7753   -0.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7047    2.7756   -0.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0009   -2.7221    0.6045 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0860   -0.5987    0.8698 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4672   -2.2338    1.0765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4686   -2.2321    1.0766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0864   -0.5967    0.8697 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5285    1.5911   -0.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5276    1.5925   -0.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3389   -2.5204   -1.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9894   -2.1262   -0.8879 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9654   -0.8826   -1.6327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9659   -0.8811   -1.6328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9907   -2.1239   -0.8879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3405   -2.5192   -1.4093 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2341    3.7169   -0.3105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2318    3.7175   -0.3107 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 14  1  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 11  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 12  1  0  0  0  0
  8 19  1  0  0  0  0
  9 13  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  2  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
M  END
$$$$