
 CHEMBL568870

 58 61  0  0  0  0  0  0  0  0999 V2000
    7.0748    2.6802    1.7980 C   0  0  0  0  0
    6.8773    1.1698    1.7526 N   0  0  0  0  0
    7.7222    0.4877    2.8265 C   0  0  0  0  0
    9.0629    0.1741    2.1740 C   0  0  0  0  0
    8.9288    0.4924    0.6909 C   0  0  0  0  0
    7.4279    0.5871    0.4205 C   0  0  0  0  0
    6.8628   -0.7379    0.0136 C   0  0  0  0  0
    6.2031   -1.1741   -1.1166 C   0  0  0  0  0
    5.8829   -2.5342   -0.8900 C   0  0  0  0  0
    6.3684   -2.8584    0.3637 C   0  0  0  0  0
    6.9809   -1.7615    0.9076 O   0  0  0  0  0
    6.3479   -4.1261    1.1992 C   0  0  0  0  0
    7.8212   -4.6520    1.4217 C   0  0  0  0  0
    7.9496   -5.8671    2.3742 C   0  0  0  0  0
    7.6285   -7.2204    1.7486 C   0  0  0  0  0
    8.4266   -7.4605    0.4757 C   0  0  0  0  0
    8.2720   -6.3175   -0.5179 C   0  0  0  0  0
    8.5946   -4.9643    0.1135 C   0  0  0  0  0
    5.5474   -3.8506    2.4900 C   0  0  0  0  0
    6.1606   -3.3558    3.6568 C   0  0  0  0  0
    5.4223   -3.1228    4.8206 C   0  0  0  0  0
    4.0510   -3.3581    4.8370 C   0  0  0  0  0
    3.4133   -3.8064    3.6852 C   0  0  0  0  0
    4.1501   -4.0367    2.5213 C   0  0  0  0  0
    5.6392   -5.0860    0.4105 O   0  0  0  0  0
    5.3972    0.8770    1.9518 C   0  0  0  0  0
    8.1399    2.9112    1.7141 H   0  0  0  0  0
    6.6909    3.0497    2.7541 H   0  0  0  0  0
    6.5187    3.1260    0.9681 H   0  0  0  0  0
    7.8076    1.1520    3.6926 H   0  0  0  0  0
    7.2146   -0.4318    3.1358 H   0  0  0  0  0
    9.3174   -0.8807    2.3276 H   0  0  0  0  0
    9.8688    0.7636    2.6244 H   0  0  0  0  0
    9.4382   -0.2522    0.0692 H   0  0  0  0  0
    9.4084    1.4564    0.4820 H   0  0  0  0  0
    7.2148    1.3214   -0.3661 H   0  0  0  0  0
    5.9702   -0.5914   -1.9991 H   0  0  0  0  0
    5.3607   -3.2131   -1.5528 H   0  0  0  0  0
    8.3772   -3.8320    1.8997 H   0  0  0  0  0
    7.3449   -5.7422    3.2762 H   0  0  0  0  0
    8.9904   -5.9018    2.7258 H   0  0  0  0  0
    7.8580   -8.0126    2.4716 H   0  0  0  0  0
    6.5583   -7.3040    1.5396 H   0  0  0  0  0
    9.4871   -7.5777    0.7309 H   0  0  0  0  0
    8.1074   -8.4009    0.0122 H   0  0  0  0  0
    8.9446   -6.4876   -1.3670 H   0  0  0  0  0
    7.2581   -6.3183   -0.9301 H   0  0  0  0  0
    9.6677   -4.9553    0.3508 H   0  0  0  0  0
    8.4552   -4.1731   -0.6303 H   0  0  0  0  0
    7.2302   -3.1648    3.6860 H   0  0  0  0  0
    5.9202   -2.7756    5.7231 H   0  0  0  0  0
    3.4789   -3.1978    5.7478 H   0  0  0  0  0
    2.3408   -3.9883    3.6933 H   0  0  0  0  0
    3.6147   -4.3719    1.6336 H   0  0  0  0  0
    5.3162   -5.7726    1.0167 H   0  0  0  0  0
    5.2339   -0.2006    2.0268 H   0  0  0  0  0
    4.8487    1.2964    1.1030 H   0  0  0  0  0
    5.0795    1.3538    2.8843 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
 10 11  1  0  0  0
 10 12  1  0  0  0
 12 25  1  0  0  0
 12 19  1  0  0  0
 12 13  1  0  0  0
 13 18  1  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 14 15  1  0  0  0
 14 40  1  0  0  0
 14 41  1  0  0  0
 15 16  1  0  0  0
 15 42  1  0  0  0
 15 43  1  0  0  0
 16 17  1  0  0  0
 16 44  1  0  0  0
 16 45  1  0  0  0
 17 18  1  0  0  0
 17 46  1  0  0  0
 17 47  1  0  0  0
 18 48  1  0  0  0
 18 49  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 50  1  0  0  0
 21 22  2  0  0  0
 21 51  1  0  0  0
 22 23  1  0  0  0
 22 52  1  0  0  0
 23 24  2  0  0  0
 23 53  1  0  0  0
 24 54  1  0  0  0
 25 55  1  0  0  0
 26 56  1  0  0  0
 26 57  1  0  0  0
 26 58  1  0  0  0
M  CHG  1   2   1
M  END

>  <Chemical Name>
CHEMBL568870

>  <PubChem CID>
44627860

>  <Formula>
C23H32NO2+

>  <Molecular Weight>
354.514000

>  <IUPAC Name>
(R)-cyclohexyl-[5-[(2S)-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(CCC[C@H]1C2=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/t20-,23-/m0/s1

>  <InChI Key>
AVNRDCQRRUOTCC-REWPJTCUSA-N

