5-(3,4-dimethoxyphenyl)-3-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium-1-yl]methyl]-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-(3,4-dimethoxyphenyl)-3-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(3,4-dimethoxyphenyl)-3-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium-1-yl]methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(3,4-dimethoxyphenyl)-3-[[4-[[2-(trifluoromethyl)phenyl]methyl]-1-piperazine-1,4-diiumyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(3,4-dimethoxyphenyl)-3-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(3,4-dimethoxyphenyl)-3-[[4-[2-(trifluoromethyl)benzyl]piperazine-1,4-diium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Formula: C23H27F3N4O3S+2 MolecularWeight: 496.54569

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4C(F)(F)F)OC

InChI

InChI=1S/C23H25F3N4O3S/c1-31-19-8-7-16(13-20(19)32-2)21-27-30(22(34)33-21)15-29-11-9-28(10-12-29)14-17-5-3-4-6-18(17)23(24,25)26/h3-8,13H,9-12,14-15H2,1-2H3/p+2