2-[4-(2-fluorophenyl)piperazin-4-ium-1-yl]carbothioylphenolate

Systemtic Name: 2-[4-(2-fluorophenyl)piperazin-4-ium-1-yl]carbothioylphenolate Openeye Name: 2-[4-(2-fluorophenyl)piperazin-4-ium-1-carbothioyl]phenolate CAS Name: 2-[[4-(2-fluorophenyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]phenolate IUPAC Name: 2-[4-(2-fluorophenyl)piperazin-4-ium-1-carbothioyl]phenolate Traditional Name: 2-[4-(2-fluorophenyl)piperazin-4-ium-1-carbothioyl]phenolate Formula: C17H17FN2OS MolecularWeight: 316.393083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2=CC=CC=C2F)C(=S)C3=CC=CC=C3[O-]

Isomeric SMILES

C1CN(CC[NH+]1C2=CC=CC=C2F)C(=S)C3=CC=CC=C3[O-]

InChI

InChI=1S/C17H17FN2OS/c18-14-6-2-3-7-15(14)19-9-11-20(12-10-19)17(22)13-5-1-4-8-16(13)21/h1-8,21H,9-12H2