
 CHEBI:31843

 42 43  0  0  0  0  0  0  0  0999 V2000
    0.3763    2.0414   -2.3763 H   0  0  0  0  0
    2.5882   -0.4836    0.2449 C   0  0  0  0  0
    3.3904    0.4855    1.0159 N   0  0  0  0  0
    2.5839    1.6696    1.3580 C   0  0  0  0  0
    2.5717    2.6983    0.2309 C   0  0  0  0  0
    3.9272    3.0889   -0.1676 N   0  0  0  0  0
    5.0637    2.3093    0.3242 C   0  0  0  0  0
    4.6629    0.8063    0.3123 C   0  0  0  0  0
    5.5677    2.9137    1.6171 C   0  0  0  0  0
    5.5056    2.2243    2.8467 C   0  0  0  0  0
    5.9465    2.8333    4.0209 C   0  0  0  0  0
    6.4634    4.1272    3.9876 C   0  0  0  0  0
    6.5677    4.8077    2.7740 C   0  0  0  0  0
    6.1329    4.2084    1.5793 C   0  0  0  0  0
    6.3831    4.8972    0.2493 C   0  0  0  0  0
    5.1953    5.2172   -0.6426 C   0  0  0  0  0
    5.2185    6.4610   -1.3111 C   0  0  0  0  0
    4.1969    6.8330   -2.1832 C   0  0  0  0  0
    3.1222    5.9842   -2.3965 C   0  0  0  0  0
    3.0578    4.7633   -1.7367 C   0  0  0  0  0
    4.0843    4.3446   -0.8547 C   0  0  0  0  0
   -1.5566    1.0663    0.5468 Cl  0  0  0  0  0
    1.6855   -0.7831    0.8193 H   0  0  0  0  0
    3.1799   -1.4008    0.0463 H   0  0  0  0  0
    2.2608   -0.0499   -0.7257 H   0  0  0  0  0
    1.5451    1.3919    1.6487 H   0  0  0  0  0
    3.0078    2.1470    2.2619 H   0  0  0  0  0
    2.0170    2.3108   -0.6447 H   0  0  0  0  0
    2.0351    3.5846    0.6375 H   0  0  0  0  0
    5.8992    2.3444   -0.4072 H   0  0  0  0  0
    4.5640    0.5493   -0.7700 H   0  0  0  0  0
    5.4851    0.1697    0.7038 H   0  0  0  0  0
    5.1067    1.2216    2.9058 H   0  0  0  0  0
    5.8848    2.2987    4.9612 H   0  0  0  0  0
    6.8057    4.5941    4.9020 H   0  0  0  0  0
    7.0083    5.7990    2.7615 H   0  0  0  0  0
    6.9795    5.8217    0.4157 H   0  0  0  0  0
    7.0594    4.2375   -0.3301 H   0  0  0  0  0
    6.0468    7.1458   -1.1710 H   0  0  0  0  0
    4.2406    7.7858   -2.6947 H   0  0  0  0  0
    2.3315    6.2724   -3.0785 H   0  0  0  0  0
    2.2003    4.1320   -1.9302 H   0  0  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  6 21  1  0  0  0
  7  9  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8 31  1  0  0  0
  8 32  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 11 12  2  0  0  0
 11 34  1  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 13 14  2  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 16 21  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 18 19  2  0  0  0
 18 40  1  0  0  0
 19 20  1  0  0  0
 19 41  1  0  0  0
 20 21  2  0  0  0
 20 42  1  0  0  0
M  CHG  2   1   1  22  -1
M  END

>  <Chemical Name>
CHEBI:31843

>  <PubChem CID>
657192

>  <Formula>
C18H21ClN2

>  <Molecular Weight>
300.830000

>  <IUPAC Name>


>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
[H+].CN1CCN2C(C1)C3=CC=CC=C3CC4=CC=CC=C42.[Cl-]

>  <Isomeric SMILES>
[H+].CN1CCN2C(C1)C3=CC=CC=C3CC4=CC=CC=C42.[Cl-]

>  <InChI Std. ID>
InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H

>  <InChI Key>
YNPFMWCWRVTGKJ-UHFFFAOYSA-N

