N-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-carbothioamide Formula: C18H23ClF3N4OS+ MolecularWeight: 435.91463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClF3N4OS/c19-14-4-3-13(18(20,21)22)11-15(14)23-17(28)26-9-7-24(8-10-26)12-16(27)25-5-1-2-6-25/h3-4,11H,1-2,5-10,12H2,(H,23,28)/p+1