4-fluoranyl-N-[[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]methyl]benzamide

Systemtic Name: 4-fluoranyl-N-[[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]methyl]benzamide Openeye Name: 4-fluoro-N-[[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]methyl]benzamide CAS Name: 4-fluoro-N-[[(3R)-1-(1H-pyrazol-5-ylmethyl)-3-piperidin-1-iumyl]methyl]benzamide IUPAC Name: 4-fluoro-N-[[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]methyl]benzamide Traditional Name: 4-fluoro-N-[[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]methyl]benzamide Formula: C17H22FN4O+ MolecularWeight: 317.381183

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=NN2)CNC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=NN2)CNC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H21FN4O/c18-15-5-3-14(4-6-15)17(23)19-10-13-2-1-9-22(11-13)12-16-7-8-20-21-16/h3-8,13H,1-2,9-12H2,(H,19,23)(H,20,21)/p+1/t13-/m1/s1