4-[4-(2-fluorophenyl)piperazin-4-ium-1-yl]carbothioyl-2-methoxy-phenolate

Systemtic Name: 4-[4-(2-fluorophenyl)piperazin-4-ium-1-yl]carbothioyl-2-methoxy-phenolate Openeye Name: 4-[4-(2-fluorophenyl)piperazin-4-ium-1-carbothioyl]-2-methoxy-phenolate CAS Name: 4-[[4-(2-fluorophenyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]-2-methoxyphenolate IUPAC Name: 4-[4-(2-fluorophenyl)piperazin-4-ium-1-carbothioyl]-2-methoxyphenolate Traditional Name: 4-[4-(2-fluorophenyl)piperazin-4-ium-1-carbothioyl]-2-methoxy-phenolate Formula: C18H19FN2O2S MolecularWeight: 346.419063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=S)N2CC[NH+](CC2)C3=CC=CC=C3F)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=S)N2CC[NH+](CC2)C3=CC=CC=C3F)[O-]

InChI

InChI=1S/C18H19FN2O2S/c1-23-17-12-13(6-7-16(17)22)18(24)21-10-8-20(9-11-21)15-5-3-2-4-14(15)19/h2-7,12,22H,8-11H2,1H3