
 CHEMBL568775

 58 61  0  0  0  0  0  0  0  0999 V2000
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M  CHG  1   2   1
M  END

>  <Chemical Name>
CHEMBL568775

>  <PubChem CID>
44627956

>  <Formula>
C23H32NO2+

>  <Molecular Weight>
354.514000

>  <IUPAC Name>
(S)-cyclohexyl-[5-[(2R)-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-/m1/s1

>  <InChI Key>
AVNRDCQRRUOTCC-NFBKMPQASA-N

