(3R)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C16H20FN4O+ MolecularWeight: 303.354603

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C(NN=C2)C3=CC=C(C=C3)F)C(=O)N

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC2=C(NN=C2)C3=CC=C(C=C3)F)C(=O)N

InChI

InChI=1S/C16H19FN4O/c17-14-5-3-11(4-6-14)15-13(8-19-20-15)10-21-7-1-2-12(9-21)16(18)22/h3-6,8,12H,1-2,7,9-10H2,(H2,18,22)(H,19,20)/p+1/t12-/m1/s1