4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-N-[4-(trifluoromethyloxy)phenyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-N-[4-(trifluoromethyloxy)phenyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-(2-oxo-2-pyrrolidin-1-yl-ethyl)-N-[4-(trifluoromethoxy)phenyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-N-[4-(trifluoromethoxy)phenyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-[4-(trifluoromethoxy)phenyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-(2-keto-2-pyrrolidino-ethyl)-N-[4-(trifluoromethoxy)phenyl]piperazin-4-ium-1-carbothioamide Formula: C18H24F3N4O2S+ MolecularWeight: 417.46897

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C18H23F3N4O2S/c19-18(20,21)27-15-5-3-14(4-6-15)22-17(28)25-11-9-23(10-12-25)13-16(26)24-7-1-2-8-24/h3-6H,1-2,7-13H2,(H,22,28)/p+1