3-(3,4-dimethylpyridin-1-ium-1-yl)-1-(4-fluorophenyl)-4-(3-oxidanylidene-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)pyrrole-2,5-dione

Systemtic Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-1-(4-fluorophenyl)-4-(3-oxidanylidene-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)pyrrole-2,5-dione Openeye Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-1-(4-fluorophenyl)-4-(5-isopropyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione CAS Name: 3-(3,4-dimethyl-1-pyridin-1-iumyl)-1-(4-fluorophenyl)-4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)pyrrole-2,5-dione IUPAC Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-1-(4-fluorophenyl)-4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)pyrrole-2,5-dione Traditional Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-1-(4-fluorophenyl)-4-(3-isopropyl-5-keto-1-phenyl-3-pyrazolin-4-yl)-3-pyrroline-2,5-quinone Formula: C29H26FN4O3+ MolecularWeight: 497.540143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=[N+](C=C1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)F)C4=C(NN(C4=O)C5=CC=CC=C5)C(C)C)C

Isomeric SMILES

CC1=C(C=[N+](C=C1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)F)C4=C(NN(C4=O)C5=CC=CC=C5)C(C)C)C

InChI

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