
 CHEMBL335886

 92 98  0  0  0  0  0  0  0  0999 V2000
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M  CHG  1  15   1
M  END

>  <Chemical Name>
CHEMBL335886

>  <PubChem CID>
44352363

>  <Formula>
C34H48N3O6S+

>  <Molecular Weight>
626.833000

>  <IUPAC Name>
methyl 3-[[(1R,3R,4S)-3-hydroxy-7,7-dimethyl-4-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)-3-bicyclo[2.2.1]heptanyl]methylcarbamoyl]-1-azoniabicyclo[2.2.2]octane-1-carboxylate

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1(C2CCC1(C(C2)(CNC(=O)C3C[N+]4(CCC3CC4)C(=O)OC)O)CS(=O)(=O)N5CCC6(CC5)C=CC7=CC=CC=C67)C

>  <Isomeric SMILES>
CC1([C@@H]2CC[C@]1([C@](C2)(CNC(=O)C3C[N+]4(CCC3CC4)C(=O)OC)O)CS(=O)(=O)N5CCC6(CC5)C=CC7=CC=CC=C67)C

>  <InChI Std. ID>
InChI=1S/C34H47N3O6S/c1-31(2)26-9-13-33(31,23-44(41,42)36-16-14-32(15-17-36)12-8-25-6-4-5-7-28(25)32)34(40,20-26)22-35-29(38)27-21-37(30(39)43-3)18-10-24(27)11-19-37/h4-8,12,24,26-27,40H,9-11,13-23H2,1-3H3/p+1/t24?,26-,27?,33+,34+,37?/m1/s1

>  <InChI Key>
BFZIIEHECQVPQB-CXNPKWBMSA-O

