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

Systemtic Name: 4-pyridin-1-ium-2-yl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-pyridin-1-ium-2-yl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(2-pyridin-1-iumyl)-N-[2-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-pyridin-1-ium-2-yl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-pyridin-1-ium-2-yl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C17H18F3N4S+ MolecularWeight: 367.41183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C17H17F3N4S/c18-17(19,20)13-5-1-2-6-14(13)22-16(25)24-11-9-23(10-12-24)15-7-3-4-8-21-15/h1-8H,9-12H2,(H,22,25)/p+1