4-fluoranyl-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbothioyl-benzamide

Systemtic Name: 4-fluoranyl-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbothioyl-benzamide Openeye Name: 4-fluoro-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]benzamide CAS Name: 4-fluoro-N-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]benzamide IUPAC Name: 4-fluoro-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]benzamide Traditional Name: 4-fluoro-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]benzamide Formula: C14H19FN3O2S+ MolecularWeight: 312.382963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=S)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=S)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C14H18FN3O2S/c15-12-3-1-11(2-4-12)13(20)16-14(21)18-7-5-17(6-8-18)9-10-19/h1-4,19H,5-10H2,(H,16,20,21)/p+1