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

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-phenyl-piperazine-1-carbothioamide Openeye Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-phenyl-piperazine-1-carbothioamide CAS Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-N-phenyl-1-piperazinecarbothioamide IUPAC Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-phenylpiperazine-1-carbothioamide Traditional Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-phenyl-piperazine-1-carbothioamide Formula: C17H17ClF3N4S+ MolecularWeight: 401.85689

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClF3N4S/c18-14-10-12(17(19,20)21)11-22-15(14)24-6-8-25(9-7-24)16(26)23-13-4-2-1-3-5-13/h1-5,10-11H,6-9H2,(H,23,26)/p+1