4-ethyl-N-[4-(trifluoromethyloxy)phenyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-ethyl-N-[4-(trifluoromethyloxy)phenyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-ethyl-N-[4-(trifluoromethoxy)phenyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-ethyl-N-[4-(trifluoromethoxy)phenyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-ethyl-N-[4-(trifluoromethoxy)phenyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-ethyl-N-[4-(trifluoromethoxy)phenyl]piperazin-4-ium-1-carbothioamide Formula: C14H19F3N3OS+ MolecularWeight: 334.38037

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C14H18F3N3OS/c1-2-19-7-9-20(10-8-19)13(22)18-11-3-5-12(6-4-11)21-14(15,16)17/h3-6H,2,7-10H2,1H3,(H,18,22)/p+1