1-(4-butylphenyl)-3-[4-(1-ethoxy-2-phenyl-ethyl)piperazin-1-yl]propan-1-ol dihydrochloride

Systemtic Name: 1-(4-butylphenyl)-3-[4-(1-ethoxy-2-phenyl-ethyl)piperazin-1-yl]propan-1-ol dihydrochloride Openeye Name: 1-(4-butylphenyl)-3-[4-(1-ethoxy-2-phenyl-ethyl)piperazin-1-yl]propan-1-ol dihydrochloride CAS Name: 1-(4-butylphenyl)-3-[4-(1-ethoxy-2-phenylethyl)-1-piperazinyl]-1-propanol dihydrochloride IUPAC Name: 1-(4-butylphenyl)-3-[4-(1-ethoxy-2-phenylethyl)piperazin-1-yl]propan-1-ol dihydrochloride Traditional Name: 1-(4-butylphenyl)-3-[4-(1-ethoxy-2-phenyl-ethyl)piperazino]propan-1-ol dihydrochloride Formula: C27H42Cl2N2O2 MolecularWeight: 497.54058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(CCN2CCN(CC2)C(CC3=CC=CC=C3)OCC)O.Cl.Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(CCN2CCN(CC2)C(CC3=CC=CC=C3)OCC)O.Cl.Cl

InChI

InChI=1S/C27H40N2O2.2ClH/c1-3-5-9-23-12-14-25(15-13-23)26(30)16-17-28-18-20-29(21-19-28)27(31-4-2)22-24-10-7-6-8-11-24;;/h6-8,10-15,26-27,30H,3-5,9,16-22H2,1-2H3;2*1H