1-[2-(1-adamantyl)ethoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol dihydrochloride

Systemtic Name: 1-[2-(1-adamantyl)ethoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol dihydrochloride Openeye Name: 1-[2-(1-adamantyl)ethoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol dihydrochloride CAS Name: 1-[2-(1-adamantyl)ethoxy]-3-(4-phenyl-1-piperazinyl)-2-propanol dihydrochloride IUPAC Name: 1-[2-(1-adamantyl)ethoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol dihydrochloride Traditional Name: 1-[2-(1-adamantyl)ethoxy]-3-(4-phenylpiperazino)propan-2-ol dihydrochloride Formula: C25H40Cl2N2O2 MolecularWeight: 471.5033

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COCCC23CC4CC(C2)CC(C4)C3)O)C5=CC=CC=C5.Cl.Cl

Isomeric SMILES

C1CN(CCN1CC(COCCC23CC4CC(C2)CC(C4)C3)O)C5=CC=CC=C5.Cl.Cl

InChI

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