1-(4-chloranyl-3-methyl-phenoxy)-4-(4-pyridin-3-ylpiperazin-1-yl)butan-2-ol dihydrochloride

Systemtic Name: 1-(4-chloranyl-3-methyl-phenoxy)-4-(4-pyridin-3-ylpiperazin-1-yl)butan-2-ol dihydrochloride Openeye Name: 1-(4-chloro-3-methyl-phenoxy)-4-[4-(3-pyridyl)piperazin-1-yl]butan-2-ol dihydrochloride CAS Name: 1-(4-chloro-3-methylphenoxy)-4-[4-(3-pyridinyl)-1-piperazinyl]-2-butanol dihydrochloride IUPAC Name: 1-(4-chloro-3-methylphenoxy)-4-(4-pyridin-3-ylpiperazin-1-yl)butan-2-ol dihydrochloride Traditional Name: 1-(4-chloro-3-methyl-phenoxy)-4-[4-(3-pyridyl)piperazino]butan-2-ol dihydrochloride Formula: C20H28Cl3N3O2 MolecularWeight: 448.81422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(CCN2CCN(CC2)C3=CN=CC=C3)O)Cl.Cl.Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(CCN2CCN(CC2)C3=CN=CC=C3)O)Cl.Cl.Cl

InChI

InChI=1S/C20H26ClN3O2.2ClH/c1-16-13-19(4-5-20(16)21)26-15-18(25)6-8-23-9-11-24(12-10-23)17-3-2-7-22-14-17;;/h2-5,7,13-14,18,25H,6,8-12,15H2,1H3;2*1H