4-[3-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenol dihydrochloride

Systemtic Name: 4-[3-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenol dihydrochloride Openeye Name: 4-[3-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]-2-hydroxy-propoxy]phenol dihydrochloride CAS Name: 4-[3-[4-(2,5-dimethoxyphenyl)-1-piperazinyl]-2-hydroxypropoxy]phenol dihydrochloride IUPAC Name: 4-[3-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenol dihydrochloride Traditional Name: 4-[3-[4-(2,5-dimethoxyphenyl)piperazino]-2-hydroxy-propoxy]phenol dihydrochloride Formula: C21H30Cl2N2O5 MolecularWeight: 461.3793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5.2ClH/c1-26-19-7-8-21(27-2)20(13-19)23-11-9-22(10-12-23)14-17(25)15-28-18-5-3-16(24)4-6-18;;/h3-8,13,17,24-25H,9-12,14-15H2,1-2H3;2*1H