[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]methanone dihydrochloride

Systemtic Name: [4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]methanone dihydrochloride Openeye Name: [4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]methanone dihydrochloride CAS Name: [4-[2-(2,6-dimethyl-4-morpholinyl)ethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-[3-(methylthio)-5-(trifluoromethyl)phenyl]methanone dihydrochloride IUPAC Name: [4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]methanone dihydrochloride Traditional Name: [4-[2-(2,6-dimethylmorpholino)ethyl]-2-[4-(trifluoromethyl)benzyl]piperazino]-[3-(methylthio)-5-(trifluoromethyl)phenyl]methanone dihydrochloride Formula: C29H37Cl2F6N3O2S MolecularWeight: 676.584399

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)CCN2CCN(C(C2)CC3=CC=C(C=C3)C(F)(F)F)C(=O)C4=CC(=CC(=C4)SC)C(F)(F)F.Cl.Cl

Isomeric SMILES

CC1CN(CC(O1)C)CCN2CCN(C(C2)CC3=CC=C(C=C3)C(F)(F)F)C(=O)C4=CC(=CC(=C4)SC)C(F)(F)F.Cl.Cl

InChI

InChI=1S/C29H35F6N3O2S.2ClH/c1-19-16-37(17-20(2)40-19)9-8-36-10-11-38(25(18-36)12-21-4-6-23(7-5-21)28(30,31)32)27(39)22-13-24(29(33,34)35)15-26(14-22)41-3;;/h4-7,13-15,19-20,25H,8-12,16-18H2,1-3H3;2*1H