N-(furan-2-ylmethyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide

Systemtic Name: N-(furan-2-ylmethyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide Openeye Name: N-(2-furylmethyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide CAS Name: N-(2-furanylmethyl)-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinecarbothioamide IUPAC Name: N-(furan-2-ylmethyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide Traditional Name: N-(2-furfuryl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide Formula: C16H18F3N4OS+ MolecularWeight: 371.40053

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=S)NCC3=CC=CO3

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=S)NCC3=CC=CO3

InChI

InChI=1S/C16H17F3N4OS/c17-16(18,19)12-3-4-14(20-10-12)22-5-7-23(8-6-22)15(25)21-11-13-2-1-9-24-13/h1-4,9-10H,5-8,11H2,(H,21,25)/p+1