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

Systemtic Name: 1-(4-chloranyl-3-methyl-phenoxy)-4-piperazin-1-yl-4-pyridin-2-yl-butan-2-ol dihydrochloride Openeye Name: 1-(4-chloro-3-methyl-phenoxy)-4-piperazin-1-yl-4-(2-pyridyl)butan-2-ol dihydrochloride CAS Name: 1-(4-chloro-3-methylphenoxy)-4-(1-piperazinyl)-4-(2-pyridinyl)-2-butanol dihydrochloride IUPAC Name: 1-(4-chloro-3-methylphenoxy)-4-piperazin-1-yl-4-pyridin-2-ylbutan-2-ol dihydrochloride Traditional Name: 1-(4-chloro-3-methyl-phenoxy)-4-piperazino-4-(2-pyridyl)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(CC(C2=CC=CC=N2)N3CCNCC3)O)Cl.Cl.Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(CC(C2=CC=CC=N2)N3CCNCC3)O)Cl.Cl.Cl

InChI

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