4-(4-fluorophenyl)-2-methyl-2-(1-methylpiperidin-4-yl)-5-(2-phenoxypyrimidin-4-yl)-1H-pyrazol-2-ium-3-one

Systemtic Name: 4-(4-fluorophenyl)-2-methyl-2-(1-methylpiperidin-4-yl)-5-(2-phenoxypyrimidin-4-yl)-1H-pyrazol-2-ium-3-one Openeye Name: 4-(4-fluorophenyl)-2-methyl-2-(1-methyl-4-piperidyl)-5-(2-phenoxypyrimidin-4-yl)-1H-pyrazol-2-ium-3-one CAS Name: 4-(4-fluorophenyl)-2-methyl-2-(1-methyl-4-piperidinyl)-5-(2-phenoxy-4-pyrimidinyl)-1H-pyrazol-2-ium-3-one IUPAC Name: 4-(4-fluorophenyl)-2-methyl-2-(1-methylpiperidin-4-yl)-5-(2-phenoxypyrimidin-4-yl)-1H-pyrazol-2-ium-3-one Traditional Name: 4-(4-fluorophenyl)-2-methyl-2-(1-methyl-4-piperidyl)-5-(2-phenoxypyrimidin-4-yl)-3-pyrazolin-2-ium-3-one Formula: C26H27FN5O2+ MolecularWeight: 460.523283

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)[N+]2(C(=O)C(=C(N2)C3=NC(=NC=C3)OC4=CC=CC=C4)C5=CC=C(C=C5)F)C

Isomeric SMILES

CN1CCC(CC1)[N+]2(C(=O)C(=C(N2)C3=NC(=NC=C3)OC4=CC=CC=C4)C5=CC=C(C=C5)F)C

InChI

InChI=1S/C26H26FN5O2/c1-31-16-13-20(14-17-31)32(2)25(33)23(18-8-10-19(27)11-9-18)24(30-32)22-12-15-28-26(29-22)34-21-6-4-3-5-7-21/h3-12,15,20H,13-14,16-17H2,1-2H3/p+1