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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=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

Isomeric SMILES

CCCC1=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

InChI

InChI=1S/C28H29FN4O3/c1-3-8-22-23(27(35)33(30-22)21-14-12-19(29)13-15-21)24-25(31-16-7-9-18(2)17-31)28(36)32(26(24)34)20-10-5-4-6-11-20/h7,9,12-17,20H,3-6,8,10-11H2,1-2H3/p+1