1-[1-[(2-methylpropan-2-yl)oxy]-2-phenyl-ethyl]-4-pyridin-4-yl-piperazine trihydrochloride

Systemtic Name: 1-[1-[(2-methylpropan-2-yl)oxy]-2-phenyl-ethyl]-4-pyridin-4-yl-piperazine trihydrochloride Openeye Name: 1-(1-tert-butoxy-2-phenyl-ethyl)-4-(4-pyridyl)piperazine trihydrochloride CAS Name: 1-[1-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]-4-pyridin-4-ylpiperazine trihydrochloride IUPAC Name: 1-[1-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]-4-pyridin-4-ylpiperazine trihydrochloride Traditional Name: 1-(1-tert-butoxy-2-phenyl-ethyl)-4-(4-pyridyl)piperazine trihydrochloride Formula: C21H32Cl3N3O MolecularWeight: 448.85728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(CC1=CC=CC=C1)N2CCN(CC2)C3=CC=NC=C3.Cl.Cl.Cl

Isomeric SMILES

CC(C)(C)OC(CC1=CC=CC=C1)N2CCN(CC2)C3=CC=NC=C3.Cl.Cl.Cl

InChI

InChI=1S/C21H29N3O.3ClH/c1-21(2,3)25-20(17-18-7-5-4-6-8-18)24-15-13-23(14-16-24)19-9-11-22-12-10-19;;;/h4-12,20H,13-17H2,1-3H3;3*1H