N-[3,5-bis(fluoranyl)phenyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-[3,5-bis(fluoranyl)phenyl]-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-(3,5-difluorophenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-(3,5-difluorophenyl)-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-(3,5-difluorophenyl)-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-(3,5-difluorophenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C16H17F2N4S+ MolecularWeight: 335.394786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16F2N4S/c17-12-9-13(18)11-14(10-12)20-16(23)22-7-5-21(6-8-22)15-3-1-2-4-19-15/h1-4,9-11H,5-8H2,(H,20,23)/p+1