3-[2-(4-fluorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]-1-(phenylmethyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione

Systemtic Name: 3-[2-(4-fluorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]-1-(phenylmethyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 1-benzyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-(phenylmethyl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 1-benzyl-3-[1-(4-fluorophenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C26H20FN4O3+ MolecularWeight: 455.460403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)F)C3=C(C(=O)N(C3=O)CC4=CC=CC=C4)[N+]5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)F)C3=C(C(=O)N(C3=O)CC4=CC=CC=C4)[N+]5=CC=CC=C5

InChI

InChI=1S/C26H19FN4O3/c1-17-21(25(33)31(28-17)20-12-10-19(27)11-13-20)22-23(29-14-6-3-7-15-29)26(34)30(24(22)32)16-18-8-4-2-5-9-18/h2-15H,16H2,1H3/p+1