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

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide CAS Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide Traditional Name: N-benzyl-4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide Formula: C18H19ClF3N4S+ MolecularWeight: 415.88347

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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)NCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C18H18ClF3N4S/c19-15-10-14(18(20,21)22)12-23-16(15)25-6-8-26(9-7-25)17(27)24-11-13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2,(H,24,27)/p+1