1-(2-methoxyphenoxy)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol hydrate trihydrochloride

Systemtic Name: 1-(2-methoxyphenoxy)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol hydrate trihydrochloride Openeye Name: 1-(2-methoxyphenoxy)-4-[4-(2-pyridyl)piperazin-1-yl]butan-2-ol hydrate trihydrochloride CAS Name: 1-(2-methoxyphenoxy)-4-[4-(2-pyridinyl)-1-piperazinyl]-2-butanol hydrate trihydrochloride IUPAC Name: 1-(2-methoxyphenoxy)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol hydrate trihydrochloride Traditional Name: 1-(2-methoxyphenoxy)-4-[4-(2-pyridyl)piperazino]butan-2-ol hydrate trihydrochloride Formula: C20H32Cl3N3O4 MolecularWeight: 484.84478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC(CCN2CCN(CC2)C3=CC=CC=N3)O.O.Cl.Cl.Cl

Isomeric SMILES

COC1=CC=CC=C1OCC(CCN2CCN(CC2)C3=CC=CC=N3)O.O.Cl.Cl.Cl

InChI

InChI=1S/C20H27N3O3.3ClH.H2O/c1-25-18-6-2-3-7-19(18)26-16-17(24)9-11-22-12-14-23(15-13-22)20-8-4-5-10-21-20;;;;/h2-8,10,17,24H,9,11-16H2,1H3;3*1H;1H2