1-(2-tert-butylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol hydrochloride

Systemtic Name: 1-(2-tert-butylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol hydrochloride Openeye Name: 1-(2-tert-butylphenoxy)-3-[4-(2-pyridyl)piperazin-1-yl]propan-2-ol hydrochloride CAS Name: 1-(2-tert-butylphenoxy)-3-[4-(2-pyridinyl)-1-piperazinyl]-2-propanol hydrochloride IUPAC Name: 1-(2-tert-butylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol hydrochloride Traditional Name: 1-(2-tert-butylphenoxy)-3-[4-(2-pyridyl)piperazino]propan-2-ol hydrochloride Formula: C22H32ClN3O2 MolecularWeight: 405.96138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC=CC=N3)O.Cl

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC=CC=N3)O.Cl

InChI

InChI=1S/C22H31N3O2.ClH/c1-22(2,3)19-8-4-5-9-20(19)27-17-18(26)16-24-12-14-25(15-13-24)21-10-6-7-11-23-21;/h4-11,18,26H,12-17H2,1-3H3;1H