4-fluoranyl-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbothioyl-benzamide

Systemtic Name: 4-fluoranyl-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbothioyl-benzamide Openeye Name: 4-fluoro-N-(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)benzamide CAS Name: 4-fluoro-N-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 4-fluoro-N-(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)benzamide Traditional Name: 4-fluoro-N-(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)benzamide Formula: C17H18FN4OS+ MolecularWeight: 345.414423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN4OS/c18-14-6-4-13(5-7-14)16(23)20-17(24)22-11-9-21(10-12-22)15-3-1-2-8-19-15/h1-8H,9-12H2,(H,20,23,24)/p+1