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

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-N-(2,5-dimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide Formula: C19H21ClF3N4O2S+ MolecularWeight: 461.90885

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

InChI

InChI=1S/C19H20ClF3N4O2S/c1-28-13-3-4-16(29-2)15(10-13)25-18(30)27-7-5-26(6-8-27)17-14(20)9-12(11-24-17)19(21,22)23/h3-4,9-11H,5-8H2,1-2H3,(H,25,30)/p+1