1-(5-chloranyl-1-benzothiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol dihydrochloride

Systemtic Name: 1-(5-chloranyl-1-benzothiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol dihydrochloride Openeye Name: 1-(5-chlorobenzothiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol dihydrochloride CAS Name: 1-(5-chloro-1-benzothiophen-3-yl)-3-[4-(2-methoxyphenyl)-1-piperazinyl]-1-propanol dihydrochloride IUPAC Name: 1-(5-chloro-1-benzothiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-ol dihydrochloride Traditional Name: 1-(5-chlorobenzothiophen-3-yl)-3-[4-(2-methoxyphenyl)piperazino]propan-1-ol dihydrochloride Formula: C22H27Cl3N2O2S MolecularWeight: 489.88598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCC(C3=CSC4=C3C=C(C=C4)Cl)O.Cl.Cl

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCC(C3=CSC4=C3C=C(C=C4)Cl)O.Cl.Cl

InChI

InChI=1S/C22H25ClN2O2S.2ClH/c1-27-21-5-3-2-4-19(21)25-12-10-24(11-13-25)9-8-20(26)18-15-28-22-7-6-16(23)14-17(18)22;;/h2-7,14-15,20,26H,8-13H2,1H3;2*1H