
 CHEMBL1779132

 64 67  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2   3   1  33  -1
M  END

>  <Chemical Name>
CHEMBL1779132

>  <PubChem CID>
10143857

>  <Formula>
C26H31BrN2O2S2

>  <Molecular Weight>
547.570000

>  <IUPAC Name>
[(3R)-1-(3-thiophen-2-ylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] N-phenyl-N-(thiophen-3-ylmethyl)carbamate;bromide

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1C[N+]2(CCC1C(C2)OC(=O)N(CC3=CSC=C3)C4=CC=CC=C4)CCCC5=CC=CS5.[Br-]

>  <Isomeric SMILES>
C1C[N+]2(CCC1[C@H](C2)OC(=O)N(CC3=CSC=C3)C4=CC=CC=C4)CCCC5=CC=CS5.[Br-]

>  <InChI Std. ID>
InChI=1S/C26H31N2O2S2.BrH/c29-26(27(18-21-12-17-31-20-21)23-6-2-1-3-7-23)30-25-19-28(14-10-22(25)11-15-28)13-4-8-24-9-5-16-32-24;/h1-3,5-7,9,12,16-17,20,22,25H,4,8,10-11,13-15,18-19H2;1H/q+1;/p-1/t22?,25-,28?;/m0./s1

>  <InChI Key>
AJWNYCANTFUYEF-ZZNGFPBBSA-M

