1-[4-(1-adamantyl)phenoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol dihydrochloride

Systemtic Name: 1-[4-(1-adamantyl)phenoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol dihydrochloride Openeye Name: 1-[4-(1-adamantyl)phenoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol dihydrochloride CAS Name: 1-[4-(1-adamantyl)phenoxy]-3-(4-ethyl-1-piperazinyl)-2-propanol dihydrochloride IUPAC Name: 1-[4-(1-adamantyl)phenoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol dihydrochloride Traditional Name: 1-[4-(1-adamantyl)phenoxy]-3-(4-ethylpiperazino)propan-2-ol dihydrochloride Formula: C25H40Cl2N2O2 MolecularWeight: 471.5033

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC(COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)CC(COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O.Cl.Cl

InChI

InChI=1S/C25H38N2O2.2ClH/c1-2-26-7-9-27(10-8-26)17-23(28)18-29-24-5-3-22(4-6-24)25-14-19-11-20(15-25)13-21(12-19)16-25;;/h3-6,19-21,23,28H,2,7-18H2,1H3;2*1H