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

Systemtic Name: 1-(2-tert-butyl-4-methyl-phenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol dihydrochloride Openeye Name: 1-(2-tert-butyl-4-methyl-phenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol dihydrochloride CAS Name: 1-(2-tert-butyl-4-methylphenoxy)-3-(4-phenyl-1-piperazinyl)-2-propanol dihydrochloride IUPAC Name: 1-(2-tert-butyl-4-methylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol dihydrochloride Traditional Name: 1-(2-tert-butyl-4-methyl-phenoxy)-3-(4-phenylpiperazino)propan-2-ol dihydrochloride Formula: C24H36Cl2N2O2 MolecularWeight: 455.46084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N2O2.2ClH/c1-19-10-11-23(22(16-19)24(2,3)4)28-18-21(27)17-25-12-14-26(15-13-25)20-8-6-5-7-9-20;;/h5-11,16,21,27H,12-15,17-18H2,1-4H3;2*1H