
 CHEMBL545342

 54 56  0  0  0  0  0  0  0  0999 V2000
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    0.8613    4.7751    4.0333 Cl  0  0  0  0  0
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    0.6059    1.1921    5.4998 H   0  0  0  0  0
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    1.4150   -2.0526    3.7634 H   0  0  0  0  0
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    0.5396    0.0446   -2.7564 H   0  0  0  0  0
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  1  2  2  0  0  0
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  4  5  1  0  0  0
  4  8  1  0  0  0
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  5  6  1  0  0  0
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  6  7  1  0  0  0
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  6 35  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL545342

>  <PubChem CID>
45262613

>  <Formula>
C23H27Cl2NO

>  <Molecular Weight>
404.375000

>  <IUPAC Name>
3-[(4-chlorophenyl)-phenylmethoxy]-8-prop-2-enyl-8-azabicyclo[3.2.1]octane;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C=CCN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl.Cl

>  <Isomeric SMILES>
C=CCN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl.Cl

>  <InChI Std. ID>
InChI=1S/C23H26ClNO.ClH/c1-2-14-25-20-12-13-21(25)16-22(15-20)26-23(17-6-4-3-5-7-17)18-8-10-19(24)11-9-18;/h2-11,20-23H,1,12-16H2;1H

>  <InChI Key>
AMAXGEVFOHCGDB-UHFFFAOYSA-N

