1-(2-tert-butylphenoxy)-3-[4-(phenylmethyl)piperazin-1-yl]propan-2-ol dihydrochloride

Systemtic Name: 1-(2-tert-butylphenoxy)-3-[4-(phenylmethyl)piperazin-1-yl]propan-2-ol dihydrochloride Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-(2-tert-butylphenoxy)propan-2-ol dihydrochloride CAS Name: 1-(2-tert-butylphenoxy)-3-[4-(phenylmethyl)-1-piperazinyl]-2-propanol dihydrochloride IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-(2-tert-butylphenoxy)propan-2-ol dihydrochloride Traditional Name: 1-(4-benzylpiperazino)-3-(2-tert-butylphenoxy)propan-2-ol dihydrochloride Formula: C24H36Cl2N2O2 MolecularWeight: 455.46084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC(CN2CCN(CC2)CC3=CC=CC=C3)O.Cl.Cl

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OCC(CN2CCN(CC2)CC3=CC=CC=C3)O.Cl.Cl

InChI

InChI=1S/C24H34N2O2.2ClH/c1-24(2,3)22-11-7-8-12-23(22)28-19-21(27)18-26-15-13-25(14-16-26)17-20-9-5-4-6-10-20;;/h4-12,21,27H,13-19H2,1-3H3;2*1H