[3-(piperidin-1-ylmethyl)phenyl]methyl carbamimidothioate dihydrochloride

Systemtic Name: [3-(piperidin-1-ylmethyl)phenyl]methyl carbamimidothioate dihydrochloride Openeye Name: 2-[[3-(1-piperidylmethyl)phenyl]methyl]isothiourea dihydrochloride CAS Name: carbamimidothioic acid [3-(1-piperidinylmethyl)phenyl]methyl ester dihydrochloride IUPAC Name: [3-(piperidin-1-ylmethyl)phenyl]methyl carbamimidothioate dihydrochloride Traditional Name: 2-[3-(piperidinomethyl)benzyl]isothiourea dihydrochloride Formula: C14H23Cl2N3S MolecularWeight: 336.32352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)CSC(=N)N.Cl.Cl

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)CSC(=N)N.Cl.Cl

InChI

InChI=1S/C14H21N3S.2ClH/c15-14(16)18-11-13-6-4-5-12(9-13)10-17-7-2-1-3-8-17;;/h4-6,9H,1-3,7-8,10-11H2,(H3,15,16);2*1H