1-(2-tert-butyl-4-methyl-phenoxy)-3-[4-(diphenylmethyl)piperazin-1-yl]propan-2-ol dihydrochloride

Systemtic Name: 1-(2-tert-butyl-4-methyl-phenoxy)-3-[4-(diphenylmethyl)piperazin-1-yl]propan-2-ol dihydrochloride Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-3-(2-tert-butyl-4-methyl-phenoxy)propan-2-ol dihydrochloride CAS Name: 1-(2-tert-butyl-4-methylphenoxy)-3-[4-(diphenylmethyl)-1-piperazinyl]-2-propanol dihydrochloride IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-3-(2-tert-butyl-4-methylphenoxy)propan-2-ol dihydrochloride Traditional Name: 1-(4-benzhydrylpiperazino)-3-(2-tert-butyl-4-methyl-phenoxy)propan-2-ol dihydrochloride Formula: C31H42Cl2N2O2 MolecularWeight: 545.58338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O)C(C)(C)C.Cl.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O)C(C)(C)C.Cl.Cl

InChI

InChI=1S/C31H40N2O2.2ClH/c1-24-15-16-29(28(21-24)31(2,3)4)35-23-27(34)22-32-17-19-33(20-18-32)30(25-11-7-5-8-12-25)26-13-9-6-10-14-26;;/h5-16,21,27,30,34H,17-20,22-23H2,1-4H3;2*1H