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

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-4-ium-1-yl]carbothioylphenolate Openeye Name: 4-[4-(4-fluorophenyl)piperazin-4-ium-1-carbothioyl]phenolate CAS Name: 4-[[4-(4-fluorophenyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]phenolate IUPAC Name: 4-[4-(4-fluorophenyl)piperazin-4-ium-1-carbothioyl]phenolate Traditional Name: 4-[4-(4-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=C(C=C2)F)C(=S)C3=CC=C(C=C3)[O-]

Isomeric SMILES

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

InChI

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