N-(4-fluorophenyl)-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide

Systemtic Name: N-(4-fluorophenyl)-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide Openeye Name: N-(4-fluorophenyl)-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide CAS Name: N-(4-fluorophenyl)-4-[3-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-fluorophenyl)-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide Traditional Name: N-(4-fluorophenyl)-4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide Formula: C17H17F4N4S+ MolecularWeight: 385.402293

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=[NH+]2)C(F)(F)F)C(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=[NH+]2)C(F)(F)F)C(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C17H16F4N4S/c18-12-3-5-13(6-4-12)23-16(26)25-10-8-24(9-11-25)15-14(17(19,20)21)2-1-7-22-15/h1-7H,8-11H2,(H,23,26)/p+1