1-(4-phenylpiperazin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxy-propane-2-thiol dihydrochloride

Systemtic Name: 1-(4-phenylpiperazin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxy-propane-2-thiol dihydrochloride Openeye Name: 1-(4-phenylpiperazin-1-yl)-3-(3,3,5-trimethylcyclohexoxy)propane-2-thiol dihydrochloride CAS Name: 1-(4-phenyl-1-piperazinyl)-3-(3,3,5-trimethylcyclohexyl)oxy-2-propanethiol dihydrochloride IUPAC Name: 1-(4-phenylpiperazin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropane-2-thiol dihydrochloride Traditional Name: 1-(4-phenylpiperazino)-3-(3,3,5-trimethylcyclohexoxy)propane-2-thiol dihydrochloride Formula: C22H38Cl2N2OS MolecularWeight: 449.52092

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)OCC(CN2CCN(CC2)C3=CC=CC=C3)S.Cl.Cl

Isomeric SMILES

CC1CC(CC(C1)(C)C)OCC(CN2CCN(CC2)C3=CC=CC=C3)S.Cl.Cl

InChI

InChI=1S/C22H36N2OS.2ClH/c1-18-13-20(15-22(2,3)14-18)25-17-21(26)16-23-9-11-24(12-10-23)19-7-5-4-6-8-19;;/h4-8,18,20-21,26H,9-17H2,1-3H3;2*1H