1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-(3-methylpent-1-yn-3-yloxy)propan-2-ol dihydrochloride

Systemtic Name: 1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-(3-methylpent-1-yn-3-yloxy)propan-2-ol dihydrochloride Openeye Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-(1-ethyl-1-methyl-prop-2-ynoxy)propan-2-ol dihydrochloride CAS Name: 1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-(3-methylpent-1-yn-3-yloxy)-2-propanol dihydrochloride IUPAC Name: 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(3-methylpent-1-yn-3-yloxy)propan-2-ol dihydrochloride Traditional Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazino]-3-(1-ethyl-1-methyl-prop-2-ynoxy)propan-2-ol dihydrochloride Formula: C20H31Cl3N2O2 MolecularWeight: 437.83134

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#C)OCC(CN1CCN(CC1)C2=C(C=CC(=C2)Cl)C)O.Cl.Cl

Isomeric SMILES

CCC(C)(C#C)OCC(CN1CCN(CC1)C2=C(C=CC(=C2)Cl)C)O.Cl.Cl

InChI

InChI=1S/C20H29ClN2O2.2ClH/c1-5-20(4,6-2)25-15-18(24)14-22-9-11-23(12-10-22)19-13-17(21)8-7-16(19)3;;/h1,7-8,13,18,24H,6,9-12,14-15H2,2-4H3;2*1H