
 CHEMBL1921928

 75 79  0  0  0  0  0  0  0  0999 V2000
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M  CHG  1  13   1
M  END

>  <Chemical Name>
CHEMBL1921928

>  <PubChem CID>
57392462

>  <Formula>
C29H41N2O2S+

>  <Molecular Weight>
481.719000

>  <IUPAC Name>
[(3R)-1-(4-phenylbutyl)-1-azoniabicyclo[2.2.2]octan-3-yl] (2R)-2-piperidin-1-yl-2-thiophen-2-ylpropanoate

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C1=CC=CS1)(C(=O)OC2C[N+]3(CCC2CC3)CCCCC4=CC=CC=C4)N5CCCCC5

>  <Isomeric SMILES>
C[C@](C1=CC=CS1)(C(=O)O[C@H]2C[N+]3(CCC2CC3)CCCCC4=CC=CC=C4)N5CCCCC5

>  <InChI Std. ID>
InChI=1S/C29H41N2O2S/c1-29(27-14-10-22-34-27,30-17-7-3-8-18-30)28(32)33-26-23-31(20-15-25(26)16-21-31)19-9-6-13-24-11-4-2-5-12-24/h2,4-5,10-12,14,22,25-26H,3,6-9,13,15-21,23H2,1H3/q+1/t25?,26-,29-,31?/m0/s1

>  <InChI Key>
ABIVXWKXMJCZMZ-LQXXZEARSA-N

