N2'-[[5-(piperidin-1-ylmethyl)thiophen-3-yl]methylsulfanyl]ethanediimidamide trihydrochloride

Systemtic Name: N2'-[[5-(piperidin-1-ylmethyl)thiophen-3-yl]methylsulfanyl]ethanediimidamide trihydrochloride Openeye Name: N2'-[[5-(1-piperidylmethyl)-3-thienyl]methylsulfanyl]oxalamidine trihydrochloride CAS Name: N2'-[[5-(1-piperidinylmethyl)-3-thiophenyl]methylthio]ethanediimidamide trihydrochloride IUPAC Name: 2-N'-[[5-(piperidin-1-ylmethyl)thiophen-3-yl]methylsulfanyl]ethanediimidamide trihydrochloride Traditional Name: N2'-[[5-(piperidinomethyl)-3-thienyl]methylthio]oxalamidine trihydrochloride Formula: C13H24Cl3N5S2 MolecularWeight: 420.85216

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CS2)CSN=C(C(=N)N)N.Cl.Cl.Cl

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CS2)CS/N=C(\C(=N)N)/N.Cl.Cl.Cl

InChI

InChI=1S/C13H21N5S2.3ClH/c14-12(15)13(16)17-20-9-10-6-11(19-8-10)7-18-4-2-1-3-5-18;;;/h6,8H,1-5,7,9H2,(H3,14,15)(H2,16,17);3*1H