1-(4-chloranyl-3,5-dimethyl-phenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol dihydrochloride

Systemtic Name: 1-(4-chloranyl-3,5-dimethyl-phenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol dihydrochloride Openeye Name: 1-(4-chloro-3,5-dimethyl-phenoxy)-3-[4-(2-pyridyl)piperazin-1-yl]propan-2-ol dihydrochloride CAS Name: 1-(4-chloro-3,5-dimethylphenoxy)-3-[4-(2-pyridinyl)-1-piperazinyl]-2-propanol dihydrochloride IUPAC Name: 1-(4-chloro-3,5-dimethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol dihydrochloride Traditional Name: 1-(4-chloro-3,5-dimethyl-phenoxy)-3-[4-(2-pyridyl)piperazino]propan-2-ol dihydrochloride Formula: C20H28Cl3N3O2 MolecularWeight: 448.81422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(CN2CCN(CC2)C3=CC=CC=N3)O.Cl.Cl

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(CN2CCN(CC2)C3=CC=CC=N3)O.Cl.Cl

InChI

InChI=1S/C20H26ClN3O2.2ClH/c1-15-11-18(12-16(2)20(15)21)26-14-17(25)13-23-7-9-24(10-8-23)19-5-3-4-6-22-19;;/h3-6,11-12,17,25H,7-10,13-14H2,1-2H3;2*1H