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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=C(C1=O)[N+]2=CC=CC(=C2)CC)C3=C(NN(C3=O)C4=CC=C(C=C4)F)CC

Isomeric SMILES

CCCN1C(=O)C(=C(C1=O)[N+]2=CC=CC(=C2)CC)C3=C(NN(C3=O)C4=CC=C(C=C4)F)CC

InChI

InChI=1S/C25H25FN4O3/c1-4-13-29-23(31)21(22(25(29)33)28-14-7-8-16(5-2)15-28)20-19(6-3)27-30(24(20)32)18-11-9-17(26)10-12-18/h7-12,14-15H,4-6,13H2,1-3H3/p+1