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

Systemtic Name: 3-[2-(4-chlorophenyl)-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl]-1-(2-fluorophenyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 3-[2-(4-chlorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-1-(2-fluorophenyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 3-[2-(4-chlorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-1-(2-fluorophenyl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-[2-(4-chlorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-1-(2-fluorophenyl)-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-[1-(4-chlorophenyl)-5-keto-3-propyl-3-pyrazolin-4-yl]-1-(2-fluorophenyl)-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C27H21ClFN4O3+ MolecularWeight: 503.932043

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C2=CC=C(C=C2)Cl)C3=C(C(=O)N(C3=O)C4=CC=CC=C4F)[N+]5=CC=CC=C5

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC=C(C=C2)Cl)C3=C(C(=O)N(C3=O)C4=CC=CC=C4F)[N+]5=CC=CC=C5

InChI

InChI=1S/C27H20ClFN4O3/c1-2-8-20-22(26(35)33(30-20)18-13-11-17(28)12-14-18)23-24(31-15-6-3-7-16-31)27(36)32(25(23)34)21-10-5-4-9-19(21)29/h3-7,9-16H,2,8H2,1H3/p+1