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

Systemtic Name: 3-[2-(4-fluorophenyl)-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl]-1-(2-methylpropyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 3-[2-(4-fluorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-1-isobutyl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 3-[2-(4-fluorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-1-(2-methylpropyl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-[2-(4-fluorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-1-(2-methylpropyl)-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-[1-(4-fluorophenyl)-5-keto-3-propyl-3-pyrazolin-4-yl]-1-isobutyl-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C25H26FN4O3+ MolecularWeight: 449.497343

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C2=CC=C(C=C2)F)C3=C(C(=O)N(C3=O)CC(C)C)[N+]4=CC=CC=C4

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC=C(C=C2)F)C3=C(C(=O)N(C3=O)CC(C)C)[N+]4=CC=CC=C4

InChI

InChI=1S/C25H25FN4O3/c1-4-8-19-20(24(32)30(27-19)18-11-9-17(26)10-12-18)21-22(28-13-6-5-7-14-28)25(33)29(23(21)31)15-16(2)3/h5-7,9-14,16H,4,8,15H2,1-3H3/p+1