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

Systemtic Name: N-(2-methylprop-2-enyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide Openeye Name: N-(2-methylallyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide CAS Name: N-(2-methylprop-2-enyl)-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-methylprop-2-enyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide Traditional Name: N-(2-methylallyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide Formula: C15H20F3N4S+ MolecularWeight: 345.40631

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC(=S)N1CCN(CC1)C2=[NH+]C=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(=C)CNC(=S)N1CCN(CC1)C2=[NH+]C=C(C=C2)C(F)(F)F

InChI

InChI=1S/C15H19F3N4S/c1-11(2)9-20-14(23)22-7-5-21(6-8-22)13-4-3-12(10-19-13)15(16,17)18/h3-4,10H,1,5-9H2,2H3,(H,20,23)/p+1