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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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