3-fluoranyl-N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide

Systemtic Name: 3-fluoranyl-N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 3-fluoro-N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 3-fluoro-N-[2-[1-[[3-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 3-fluoro-N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 3-fluoro-N-[2-[1-[3-(methylthio)benzyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C23H26FN4OS+ MolecularWeight: 425.542143

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

CSC1=CC=CC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C23H25FN4OS/c1-30-21-7-2-4-17(14-21)16-27-12-9-20(10-13-27)28-22(8-11-25-28)26-23(29)18-5-3-6-19(24)15-18/h2-8,11,14-15,20H,9-10,12-13,16H2,1H3,(H,26,29)/p+1