1-(2-tert-butyl-4-methyl-phenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol dihydrochloride

Systemtic Name: 1-(2-tert-butyl-4-methyl-phenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol dihydrochloride Openeye Name: 1-(2-tert-butyl-4-methyl-phenoxy)-3-[4-(2-pyridyl)piperazin-1-yl]propan-2-ol dihydrochloride CAS Name: 1-(2-tert-butyl-4-methylphenoxy)-3-[4-(2-pyridinyl)-1-piperazinyl]-2-propanol dihydrochloride IUPAC Name: 1-(2-tert-butyl-4-methylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol dihydrochloride Traditional Name: 1-(2-tert-butyl-4-methyl-phenoxy)-3-[4-(2-pyridyl)piperazino]propan-2-ol dihydrochloride Formula: C23H35Cl2N3O2 MolecularWeight: 456.4489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=N3)O)C(C)(C)C.Cl.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=N3)O)C(C)(C)C.Cl.Cl

InChI

InChI=1S/C23H33N3O2.2ClH/c1-18-8-9-21(20(15-18)23(2,3)4)28-17-19(27)16-25-11-13-26(14-12-25)22-7-5-6-10-24-22;;/h5-10,15,19,27H,11-14,16-17H2,1-4H3;2*1H