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

Systemtic Name: 1-(4-pyridin-2-ylpiperazin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxy-propane-2-thiol dihydrochloride Openeye Name: 1-[4-(2-pyridyl)piperazin-1-yl]-3-(3,3,5-trimethylcyclohexoxy)propane-2-thiol dihydrochloride CAS Name: 1-[4-(2-pyridinyl)-1-piperazinyl]-3-(3,3,5-trimethylcyclohexyl)oxy-2-propanethiol dihydrochloride IUPAC Name: 1-(4-pyridin-2-ylpiperazin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropane-2-thiol dihydrochloride Traditional Name: 1-[4-(2-pyridyl)piperazino]-3-(3,3,5-trimethylcyclohexoxy)propane-2-thiol dihydrochloride Formula: C21H37Cl2N3OS MolecularWeight: 450.50898

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)OCC(CN2CCN(CC2)C3=CC=CC=N3)S.Cl.Cl

Isomeric SMILES

CC1CC(CC(C1)(C)C)OCC(CN2CCN(CC2)C3=CC=CC=N3)S.Cl.Cl

InChI

InChI=1S/C21H35N3OS.2ClH/c1-17-12-18(14-21(2,3)13-17)25-16-19(26)15-23-8-10-24(11-9-23)20-6-4-5-7-22-20;;/h4-7,17-19,26H,8-16H2,1-3H3;2*1H