1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4,6-dimethyl-2-sulfanylidene-pyridine-3-carboxamide

Systemtic Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4,6-dimethyl-2-sulfanylidene-pyridine-3-carboxamide Openeye Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4,6-dimethyl-2-thioxo-pyridine-3-carboxamide CAS Name: 1-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-4,6-dimethyl-2-sulfanylidene-3-pyridinecarboxamide IUPAC Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4,6-dimethyl-2-sulfanylidenepyridine-3-carboxamide Traditional Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4,6-dimethyl-2-thioxo-nicotinamide Formula: C19H24FN4OS+ MolecularWeight: 375.483463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=S)N1C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C(=S)N1C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)C(=O)N)C

InChI

InChI=1S/C19H23FN4OS/c1-13-11-14(2)24(19(26)17(13)18(21)25)12-22-7-9-23(10-8-22)16-5-3-15(20)4-6-16/h3-6,11H,7-10,12H2,1-2H3,(H2,21,25)/p+1