
 CHEMBL569760

 58 61  0  0  0  0  0  0  0  0999 V2000
    8.1508    1.9821    2.1743 C   0  0  0  0  0
    7.7228    0.5311    1.9876 N   0  0  0  0  0
    8.8254   -0.4216    2.4347 C   0  0  0  0  0
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    7.0434   -2.1855    0.6050 O   0  0  0  0  0
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    9.0817    2.1610    1.6301 H   0  0  0  0  0
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    8.3672   -1.3806    2.6981 H   0  0  0  0  0
   10.0443   -1.6183    1.1077 H   0  0  0  0  0
   10.6682    0.0055    1.3781 H   0  0  0  0  0
    9.0550   -0.7545   -0.8246 H   0  0  0  0  0
    9.4467    0.8823   -0.3212 H   0  0  0  0  0
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    4.9120   -0.2350   -0.9769 H   0  0  0  0  0
    4.2068   -2.8671   -0.9063 H   0  0  0  0  0
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    7.8646   -6.7547    1.2887 H   0  0  0  0  0
    8.9817   -6.7355   -0.0495 H   0  0  0  0  0
    7.5138   -8.6282   -0.2790 H   0  0  0  0  0
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    5.6593    0.9254    2.3588 H   0  0  0  0  0
    6.6435    0.5901    3.8243 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  9 10  2  0  0  0
  9 38  1  0  0  0
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 26 58  1  0  0  0
M  CHG  1   2   1
M  END

>  <Chemical Name>
CHEMBL569760

>  <PubChem CID>
44627746

>  <Formula>
C23H32NO2+

>  <Molecular Weight>
354.514000

>  <IUPAC Name>
cyclohexyl-[5-(1,1-dimethylpyrrolidin-1-ium-2-yl)furan-2-yl]-phenylmethanol

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C[N+]1(CCCC1C2=CC=C(O2)C(C3CCCCC3)(C4=CC=CC=C4)O)C

>  <Isomeric SMILES>
C[N+]1(CCCC1C2=CC=C(O2)C(C3CCCCC3)(C4=CC=CC=C4)O)C

>  <InChI Std. ID>
InChI=1S/C23H32NO2/c1-24(2)17-9-14-20(24)21-15-16-22(26-21)23(25,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3,5-6,10-11,15-16,19-20,25H,4,7-9,12-14,17H2,1-2H3/q+1

>  <InChI Key>
AVNRDCQRRUOTCC-UHFFFAOYSA-N

