
 CHEMBL51985

 74 77  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0
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M  CHG  1   4   1
M  END

>  <Chemical Name>
CHEMBL51985

>  <PubChem CID>
10008463

>  <Formula>
C27H41N2O4+

>  <Molecular Weight>
457.635000

>  <IUPAC Name>
4-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butyl-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-methyl-propylazanium

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC[N+](C)(CCCCN1C(=O)CC2(CCCC2)CC1=O)C3CC4=C(C=CC=C4OC)OC3

>  <Isomeric SMILES>
CCC[N+](C)(CCCCN1C(=O)CC2(CCCC2)CC1=O)C3CC4=C(C=CC=C4OC)OC3

>  <InChI Std. ID>
InChI=1S/C27H41N2O4/c1-4-15-29(2,21-17-22-23(32-3)10-9-11-24(22)33-20-21)16-8-7-14-28-25(30)18-27(19-26(28)31)12-5-6-13-27/h9-11,21H,4-8,12-20H2,1-3H3/q+1

>  <InChI Key>
JKDNPVDWERGGAV-UHFFFAOYSA-N

