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

Systemtic Name: 1-cyclohexyl-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-[2-(4-fluorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]pyrrole-2,5-dione Openeye Name: 1-cyclohexyl-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]pyrrole-2,5-dione CAS Name: 1-cyclohexyl-3-(3,5-dimethyl-1-pyridin-1-iumyl)-4-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]pyrrole-2,5-dione IUPAC Name: 1-cyclohexyl-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]pyrrole-2,5-dione Traditional Name: 1-cyclohexyl-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-[1-(4-fluorophenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]-3-pyrroline-2,5-quinone Formula: C27H28FN4O3+ MolecularWeight: 475.534623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C[N+](=C1)C2=C(C(=O)N(C2=O)C3CCCCC3)C4=C(NN(C4=O)C5=CC=C(C=C5)F)C)C

Isomeric SMILES

CC1=CC(=C[N+](=C1)C2=C(C(=O)N(C2=O)C3CCCCC3)C4=C(NN(C4=O)C5=CC=C(C=C5)F)C)C

InChI

InChI=1S/C27H27FN4O3/c1-16-13-17(2)15-30(14-16)24-23(25(33)31(27(24)35)20-7-5-4-6-8-20)22-18(3)29-32(26(22)34)21-11-9-19(28)10-12-21/h9-15,20H,4-8H2,1-3H3/p+1