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

Systemtic Name: 1-cyclohexyl-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-[5-ethyl-2-(4-fluorophenyl)-3-oxidanylidene-1H-pyrazol-4-yl]pyrrole-2,5-dione Openeye Name: 1-cyclohexyl-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-[5-ethyl-2-(4-fluorophenyl)-3-oxo-1H-pyrazol-4-yl]pyrrole-2,5-dione CAS Name: 1-cyclohexyl-3-(3,5-dimethyl-1-pyridin-1-iumyl)-4-[5-ethyl-2-(4-fluorophenyl)-3-oxo-1H-pyrazol-4-yl]pyrrole-2,5-dione IUPAC Name: 1-cyclohexyl-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-[5-ethyl-2-(4-fluorophenyl)-3-oxo-1H-pyrazol-4-yl]pyrrole-2,5-dione Traditional Name: 1-cyclohexyl-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-[3-ethyl-1-(4-fluorophenyl)-5-keto-3-pyrazolin-4-yl]-3-pyrroline-2,5-quinone Formula: C28H30FN4O3+ MolecularWeight: 489.561203

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N(N1)C2=CC=C(C=C2)F)C3=C(C(=O)N(C3=O)C4CCCCC4)[N+]5=CC(=CC(=C5)C)C

Isomeric SMILES

CCC1=C(C(=O)N(N1)C2=CC=C(C=C2)F)C3=C(C(=O)N(C3=O)C4CCCCC4)[N+]5=CC(=CC(=C5)C)C

InChI

InChI=1S/C28H29FN4O3/c1-4-22-23(27(35)33(30-22)21-12-10-19(29)11-13-21)24-25(31-15-17(2)14-18(3)16-31)28(36)32(26(24)34)20-8-6-5-7-9-20/h10-16,20H,4-9H2,1-3H3/p+1