
 CHEMBL2283088

 89 87  0  0  0  0  0  0  0  0999 V2000
    0.8582    1.1060    3.1958 C   0  0  0  0  0
    2.3776    1.2302    3.2648 C   0  0  0  0  0
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   11.1723    4.2666   -2.3635 C   0  0  0  0  0
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   11.2542    6.6844   -2.2210 C   0  0  0  0  0
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    4.8192    1.6418    2.1765 H   0  0  0  0  0
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   12.4444    6.5814   -0.3944 H   0  0  0  0  0
   10.9387    7.5005   -0.2174 H   0  0  0  0  0
   13.6806    5.2763   -1.8224 H   0  0  0  0  0
   13.6809    6.4824   -3.1477 H   0  0  0  0  0
   13.5339    4.6971   -4.8566 H   0  0  0  0  0
   13.5932    3.4377   -3.5626 H   0  0  0  0  0
   15.7792    4.2868   -2.7738 H   0  0  0  0  0
   15.7818    5.5329   -4.0857 H   0  0  0  0  0
   15.6877    3.7232   -5.8103 H   0  0  0  0  0
   15.6367    2.4753   -4.5021 H   0  0  0  0  0
   17.8562    3.2268   -3.6652 H   0  0  0  0  0
   17.9451    4.4735   -4.9739 H   0  0  0  0  0
   17.8241    2.6738   -6.7038 H   0  0  0  0  0
   17.6826    1.4247   -5.4035 H   0  0  0  0  0
   19.9141    2.0745   -4.5057 H   0  0  0  0  0
   20.0868    3.3221   -5.8052 H   0  0  0  0  0
   19.9083    1.5366   -7.5413 H   0  0  0  0  0
   19.7165    0.2859   -6.2595 H   0  0  0  0  0
   21.9350    0.8325   -5.3204 H   0  0  0  0  0
   22.2312    2.0813   -6.5707 H   0  0  0  0  0
   22.6429   -1.9509   -8.6999 H   0  0  0  0  0
   22.7197   -1.9731  -11.1715 H   0  0  0  0  0
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    0.4362   -2.9268    2.3382 H   0  0  0  0  0
    1.2286   -1.9429    4.9141 H   0  0  0  0  0
   -0.3041   -2.3494   -0.7698 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
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  7 48  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2283088

>  <PubChem CID>
76323649

>  <Formula>
C28H54Cl3N3O

>  <Molecular Weight>
555.110000

>  <IUPAC Name>
N-butyl-N-methyl-4-[4-(9-phenoxynonyl)piperazin-1-yl]butan-1-amine;trihydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCCN(C)CCCCN1CCN(CC1)CCCCCCCCCOC2=CC=CC=C2.Cl.Cl.Cl

>  <Isomeric SMILES>
CCCCN(C)CCCCN1CCN(CC1)CCCCCCCCCOC2=CC=CC=C2.Cl.Cl.Cl

>  <InChI Std. ID>
InChI=1S/C28H51N3O.3ClH/c1-3-4-19-29(2)20-14-15-22-31-25-23-30(24-26-31)21-13-8-6-5-7-9-16-27-32-28-17-11-10-12-18-28;;;/h10-12,17-18H,3-9,13-16,19-27H2,1-2H3;3*1H

>  <InChI Key>
AKQVBEPQRVZASO-UHFFFAOYSA-N

