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

Systemtic Name: 3-[2-(2,3-dimethylphenyl)-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl]-1-(4-fluorophenyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 3-[2-(2,3-dimethylphenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-1-(4-fluorophenyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 3-[2-(2,3-dimethylphenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-1-(4-fluorophenyl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-[2-(2,3-dimethylphenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-1-(4-fluorophenyl)-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-[1-(2,3-dimethylphenyl)-5-keto-3-propyl-3-pyrazolin-4-yl]-1-(4-fluorophenyl)-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C29H26FN4O3+ MolecularWeight: 497.540143

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C2=CC=CC(=C2C)C)C3=C(C(=O)N(C3=O)C4=CC=C(C=C4)F)[N+]5=CC=CC=C5

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC=CC(=C2C)C)C3=C(C(=O)N(C3=O)C4=CC=C(C=C4)F)[N+]5=CC=CC=C5

InChI

InChI=1S/C29H25FN4O3/c1-4-9-22-24(28(36)34(31-22)23-11-8-10-18(2)19(23)3)25-26(32-16-6-5-7-17-32)29(37)33(27(25)35)21-14-12-20(30)13-15-21/h5-8,10-17H,4,9H2,1-3H3/p+1