4-fluoranyl-N-[[(3R)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]benzamide

Systemtic Name: 4-fluoranyl-N-[[(3R)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]benzamide Openeye Name: 4-fluoro-N-[[(3R)-1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]benzamide CAS Name: 4-fluoro-N-[[(3R)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-3-piperidin-1-iumyl]methyl]benzamide IUPAC Name: 4-fluoro-N-[[(3R)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]benzamide Traditional Name: 4-fluoro-N-[[(3R)-1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]benzamide Formula: C20H28FN4O+ MolecularWeight: 359.460923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NNC(=C1)C[NH+]2CCCC(C2)CNC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)C1=NNC(=C1)C[NH+]2CCC[C@@H](C2)CNC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H27FN4O/c1-14(2)19-10-18(23-24-19)13-25-9-3-4-15(12-25)11-22-20(26)16-5-7-17(21)8-6-16/h5-8,10,14-15H,3-4,9,11-13H2,1-2H3,(H,22,26)(H,23,24)/p+1/t15-/m1/s1