1-[4-(1-adamantyl)piperazin-1-yl]-3-phenethyloxy-propan-2-ol dihydrochloride

Systemtic Name: 1-[4-(1-adamantyl)piperazin-1-yl]-3-phenethyloxy-propan-2-ol dihydrochloride Openeye Name: 1-[4-(1-adamantyl)piperazin-1-yl]-3-phenethyloxy-propan-2-ol dihydrochloride CAS Name: 1-[4-(1-adamantyl)-1-piperazinyl]-3-phenethyloxy-2-propanol dihydrochloride IUPAC Name: 1-[4-(1-adamantyl)piperazin-1-yl]-3-phenethyloxypropan-2-ol dihydrochloride Traditional Name: 1-[4-(1-adamantyl)piperazino]-3-phenethyloxy-propan-2-ol dihydrochloride Formula: C25H40Cl2N2O2 MolecularWeight: 471.5033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COCCC2=CC=CC=C2)O)C34CC5CC(C3)CC(C5)C4.Cl.Cl

Isomeric SMILES

C1CN(CCN1CC(COCCC2=CC=CC=C2)O)C34CC5CC(C3)CC(C5)C4.Cl.Cl

InChI

InChI=1S/C25H38N2O2.2ClH/c28-24(19-29-11-6-20-4-2-1-3-5-20)18-26-7-9-27(10-8-26)25-15-21-12-22(16-25)14-23(13-21)17-25;;/h1-5,21-24,28H,6-19H2;2*1H