1-(4-chloranylphenoxy)-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-2-ol dihydrochloride

Systemtic Name: 1-(4-chloranylphenoxy)-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-2-ol dihydrochloride Openeye Name: 1-(4-chlorophenoxy)-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-2-ol dihydrochloride CAS Name: 1-(4-chlorophenoxy)-4-[4-(4-methoxyphenyl)-1-piperazinyl]-2-butanol dihydrochloride IUPAC Name: 1-(4-chlorophenoxy)-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-2-ol dihydrochloride Traditional Name: 1-(4-chlorophenoxy)-4-[4-(4-methoxyphenyl)piperazino]butan-2-ol dihydrochloride Formula: C21H29Cl3N2O3 MolecularWeight: 463.82556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)CCC(COC3=CC=C(C=C3)Cl)O.Cl.Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)CCC(COC3=CC=C(C=C3)Cl)O.Cl.Cl

InChI

InChI=1S/C21H27ClN2O3.2ClH/c1-26-20-8-4-18(5-9-20)24-14-12-23(13-15-24)11-10-19(25)16-27-21-6-2-17(22)3-7-21;;/h2-9,19,25H,10-16H2,1H3;2*1H