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

Systemtic Name: 4-fluoranyl-N-[[(3R)-1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]benzamide Openeye Name: 4-fluoro-N-[[(3R)-1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]benzamide CAS Name: 4-fluoro-N-[[(3R)-1-[(1-methyl-3-phenyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methyl]benzamide IUPAC Name: 4-fluoro-N-[[(3R)-1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]benzamide Traditional Name: 4-fluoro-N-[[(3R)-1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]benzamide Formula: C24H28FN4O+ MolecularWeight: 407.503723

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CC=C2)C[NH+]3CCCC(C3)CNC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CC=C2)C[NH+]3CCC[C@@H](C3)CNC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H27FN4O/c1-28-16-21(23(27-28)19-7-3-2-4-8-19)17-29-13-5-6-18(15-29)14-26-24(30)20-9-11-22(25)12-10-20/h2-4,7-12,16,18H,5-6,13-15,17H2,1H3,(H,26,30)/p+1/t18-/m1/s1