1-[4-(diphenylmethyl)piperazin-1-yl]-3-(5-methyl-2-propan-2-yl-phenoxy)propan-2-ol dihydrochloride

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-1-yl]-3-(5-methyl-2-propan-2-yl-phenoxy)propan-2-ol dihydrochloride Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-3-(2-isopropyl-5-methyl-phenoxy)propan-2-ol dihydrochloride CAS Name: 1-[4-(diphenylmethyl)-1-piperazinyl]-3-(5-methyl-2-propan-2-ylphenoxy)-2-propanol dihydrochloride IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol dihydrochloride Traditional Name: 1-(4-benzhydrylpiperazino)-3-(2-isopropyl-5-methyl-phenoxy)propan-2-ol dihydrochloride Formula: C30H40Cl2N2O2 MolecularWeight: 531.5568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38N2O2.2ClH/c1-23(2)28-15-14-24(3)20-29(28)34-22-27(33)21-31-16-18-32(19-17-31)30(25-10-6-4-7-11-25)26-12-8-5-9-13-26;;/h4-15,20,23,27,30,33H,16-19,21-22H2,1-3H3;2*1H