4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-methyl-piperazine-1-carbothioamide

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-methyl-piperazine-1-carbothioamide Openeye Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-methyl-piperazine-1-carbothioamide CAS Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-N-methyl-1-piperazinecarbothioamide IUPAC Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-methylpiperazine-1-carbothioamide Traditional Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-methyl-piperazine-1-carbothioamide Formula: C12H15ClF3N4S+ MolecularWeight: 339.78751

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCN(CC1)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

Isomeric SMILES

CNC(=S)N1CCN(CC1)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

InChI

InChI=1S/C12H14ClF3N4S/c1-17-11(21)20-4-2-19(3-5-20)10-9(13)6-8(7-18-10)12(14,15)16/h6-7H,2-5H2,1H3,(H,17,21)/p+1