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

Systemtic Name: 4-(pyridin-4-ylmethyl)-N-[4-(trifluoromethyloxy)phenyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-(4-pyridylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-(pyridin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(pyridin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-(4-pyridylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperazin-4-ium-1-carbothioamide Formula: C18H20F3N4OS+ MolecularWeight: 397.43781

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=S)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=S)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C18H19F3N4OS/c19-18(20,21)26-16-3-1-15(2-4-16)23-17(27)25-11-9-24(10-12-25)13-14-5-7-22-8-6-14/h1-8H,9-13H2,(H,23,27)/p+1