2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole Openeye Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-5-(trifluoromethyl)-1,3,4-thiadiazole IUPAC Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole Traditional Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole Formula: C20H20F3N4S+ MolecularWeight: 405.45981

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NN=C(S4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NN=C(S4)C(F)(F)F

InChI

InChI=1S/C20H19F3N4S/c21-20(22,23)18-24-25-19(28-18)27-13-11-26(12-14-27)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17H,11-14H2/p+1