[(3S)-1-[[5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-phenyl-methanone

Systemtic Name: [(3S)-1-[[5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-phenyl-methanone Openeye Name: [(3S)-1-[[5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-phenyl-methanone CAS Name: [(3S)-1-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-piperidin-1-iumyl]-phenylmethanone IUPAC Name: [(3S)-1-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-phenylmethanone Traditional Name: [(3S)-1-[[5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-phenyl-methanone Formula: C23H25FN3O2+ MolecularWeight: 394.461903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(C=NN2)C[NH+]3CCCC(C3)C(=O)C4=CC=CC=C4)F

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(C=NN2)C[NH+]3CCC[C@@H](C3)C(=O)C4=CC=CC=C4)F

InChI

InChI=1S/C23H24FN3O2/c1-29-19-9-10-20(21(24)12-19)22-18(13-25-26-22)15-27-11-5-8-17(14-27)23(28)16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,17H,5,8,11,14-15H2,1H3,(H,25,26)/p+1/t17-/m0/s1