4-[1-[[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]morpholine

Systemtic Name: 4-[1-[[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]morpholine Openeye Name: 4-[1-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]morpholine CAS Name: 4-[1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-4-piperidin-1-iumyl]morpholine IUPAC Name: 4-[1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-1-ium-4-yl]morpholine Traditional Name: 4-[1-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]morpholine Formula: C26H32FN4O2+ MolecularWeight: 451.556283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN(C=C2C[NH+]3CCC(CC3)N4CCOCC4)C5=CC=CC=C5)F

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN(C=C2C[NH+]3CCC(CC3)N4CCOCC4)C5=CC=CC=C5)F

InChI

InChI=1S/C26H31FN4O2/c1-32-23-7-8-24(25(27)17-23)26-20(19-31(28-26)22-5-3-2-4-6-22)18-29-11-9-21(10-12-29)30-13-15-33-16-14-30/h2-8,17,19,21H,9-16,18H2,1H3/p+1