1-(4-chloranyl-3,5-dimethyl-phenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol dihydrochloride

Systemtic Name: 1-(4-chloranyl-3,5-dimethyl-phenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol dihydrochloride Openeye Name: 1-(4-chloro-3,5-dimethyl-phenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol dihydrochloride CAS Name: 1-(4-chloro-3,5-dimethylphenoxy)-3-(4-phenyl-1-piperazinyl)-2-propanol dihydrochloride IUPAC Name: 1-(4-chloro-3,5-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol dihydrochloride Traditional Name: 1-(4-chloro-3,5-dimethyl-phenoxy)-3-(4-phenylpiperazino)propan-2-ol dihydrochloride Formula: C21H29Cl3N2O2 MolecularWeight: 447.82616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(CN2CCN(CC2)C3=CC=CC=C3)O.Cl.Cl

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(CN2CCN(CC2)C3=CC=CC=C3)O.Cl.Cl

InChI

InChI=1S/C21H27ClN2O2.2ClH/c1-16-12-20(13-17(2)21(16)22)26-15-19(25)14-23-8-10-24(11-9-23)18-6-4-3-5-7-18;;/h3-7,12-13,19,25H,8-11,14-15H2,1-2H3;2*1H