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

Systemtic Name: 3-[2-(4-chlorophenyl)-3-oxidanylidene-5-propan-2-yl-1H-pyrazol-4-yl]-1-(4-fluorophenyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 3-[2-(4-chlorophenyl)-5-isopropyl-3-oxo-1H-pyrazol-4-yl]-1-(4-fluorophenyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 3-[2-(4-chlorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-1-(4-fluorophenyl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-[2-(4-chlorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-1-(4-fluorophenyl)-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-[1-(4-chlorophenyl)-3-isopropyl-5-keto-3-pyrazolin-4-yl]-1-(4-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:

CC(C)C1=C(C(=O)N(N1)C2=CC=C(C=C2)Cl)C3=C(C(=O)N(C3=O)C4=CC=C(C=C4)F)[N+]5=CC=CC=C5

Isomeric SMILES

CC(C)C1=C(C(=O)N(N1)C2=CC=C(C=C2)Cl)C3=C(C(=O)N(C3=O)C4=CC=C(C=C4)F)[N+]5=CC=CC=C5

InChI

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