6-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyridine-3-carboxamide

Systemtic Name: 6-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyridine-3-carboxamide Openeye Name: 6-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-oxo-N-[(1S)-1-(2-thienyl)ethyl]-1H-pyridine-3-carboxamide CAS Name: 6-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-2-oxo-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyridine-3-carboxamide IUPAC Name: 6-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-oxo-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyridine-3-carboxamide Traditional Name: 6-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-2-keto-N-[(1S)-1-(2-thienyl)ethyl]-1H-pyridine-3-carboxamide Formula: C23H26FN4O2S+ MolecularWeight: 441.541543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)C2=CC=C(NC2=O)C[NH+]3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

C[C@@H](C1=CC=CS1)NC(=O)C2=CC=C(NC2=O)C[NH+]3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C23H25FN4O2S/c1-16(21-7-4-14-31-21)25-22(29)18-9-8-17(26-23(18)30)15-27-10-12-28(13-11-27)20-6-3-2-5-19(20)24/h2-9,14,16H,10-13,15H2,1H3,(H,25,29)(H,26,30)/p+1/t16-/m0/s1