
 CHEMBL3360836

 52 54  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3360836

>  <PubChem CID>
118724542

>  <Formula>
C20H27N5

>  <Molecular Weight>
337.471000

>  <IUPAC Name>
2-[(4-anilino-1-benzylpiperidin-4-yl)methyl]guanidine

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1(CN=C(N)N)NC2=CC=CC=C2)CC3=CC=CC=C3

>  <Isomeric SMILES>
C1CN(CCC1(CN=C(N)N)NC2=CC=CC=C2)CC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C20H27N5/c21-19(22)23-16-20(24-18-9-5-2-6-10-18)11-13-25(14-12-20)15-17-7-3-1-4-8-17/h1-10,24H,11-16H2,(H4,21,22,23)

>  <InChI Key>
GHAGJSJVPVJDNP-UHFFFAOYSA-N

