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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=[N+](C=C1)C2=C(C(=O)N(C2=O)C3CCCCC3)C4=C(NN(C4=O)C5=CC=C(C=C5)F)CC

Isomeric SMILES

CCC1=CC=[N+](C=C1)C2=C(C(=O)N(C2=O)C3CCCCC3)C4=C(NN(C4=O)C5=CC=C(C=C5)F)CC

InChI

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