4-[[2-[4-(2-fluorophenyl)piperazin-4-ium-1-yl]-4-oxidanylidene-1,3-thiazol-5-ylidene]methyl]-2-methoxy-phenolate

Systemtic Name: 4-[[2-[4-(2-fluorophenyl)piperazin-4-ium-1-yl]-4-oxidanylidene-1,3-thiazol-5-ylidene]methyl]-2-methoxy-phenolate Openeye Name: 4-[[2-[4-(2-fluorophenyl)piperazin-4-ium-1-yl]-4-oxo-thiazol-5-ylidene]methyl]-2-methoxy-phenolate CAS Name: 4-[[2-[4-(2-fluorophenyl)-1-piperazin-4-iumyl]-4-oxo-5-thiazolylidene]methyl]-2-methoxyphenolate IUPAC Name: 4-[[2-[4-(2-fluorophenyl)piperazin-4-ium-1-yl]-4-oxo-1,3-thiazol-5-ylidene]methyl]-2-methoxyphenolate Traditional Name: 4-[[2-[4-(2-fluorophenyl)piperazin-4-ium-1-yl]-4-keto-2-thiazolin-5-ylidene]methyl]-2-methoxy-phenolate Formula: C21H20FN3O3S MolecularWeight: 413.465203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)N3CC[NH+](CC3)C4=CC=CC=C4F)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)N3CC[NH+](CC3)C4=CC=CC=C4F)[O-]

InChI

InChI=1S/C21H20FN3O3S/c1-28-18-12-14(6-7-17(18)26)13-19-20(27)23-21(29-19)25-10-8-24(9-11-25)16-5-3-2-4-15(16)22/h2-7,12-13,26H,8-11H2,1H3