
 CHEMBL3932738

 67 72  0  0  0  0  0  0  0  0999 V2000
    0.7384    2.0092   -0.1193 C   0  0  0  0  0
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  1  2  1  0  0  0
  1  6  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
  2 38  1  0  0  0
  2 39  1  0  0  0
  3  8  1  0  0  0
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  3 26  1  0  0  0
  4  5  1  0  0  0
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  9 10  1  0  0  0
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M  CHG  1   3   1
M  END

>  <Chemical Name>
CHEMBL3932738

>  <PubChem CID>
127053833

>  <Formula>
C30H32NO4+

>  <Molecular Weight>
470.589000

>  <IUPAC Name>
[(3R)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 9H-xanthene-9-carboxylate

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1C[N+]2(CCC1C(C2)OC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)CCCOC6=CC=CC=C6

>  <Isomeric SMILES>
C1C[N+]2(CCC1[C@H](C2)OC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)CCCOC6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C30H32NO4/c32-30(29-24-11-4-6-13-26(24)34-27-14-7-5-12-25(27)29)35-28-21-31(18-15-22(28)16-19-31)17-8-20-33-23-9-2-1-3-10-23/h1-7,9-14,22,28-29H,8,15-21H2/q+1/t22?,28-,31?/m0/s1

>  <InChI Key>
AJSGCAGLYFFWMH-JHHOKDCISA-N

