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

Systemtic Name: 3-[5-ethyl-2-(4-fluorophenyl)-3-oxidanylidene-1H-pyrazol-4-yl]-1-propan-2-yl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 3-[5-ethyl-2-(4-fluorophenyl)-3-oxo-1H-pyrazol-4-yl]-1-isopropyl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 3-[5-ethyl-2-(4-fluorophenyl)-3-oxo-1H-pyrazol-4-yl]-1-propan-2-yl-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-[5-ethyl-2-(4-fluorophenyl)-3-oxo-1H-pyrazol-4-yl]-1-propan-2-yl-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-[3-ethyl-1-(4-fluorophenyl)-5-keto-3-pyrazolin-4-yl]-1-isopropyl-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C23H22FN4O3+ MolecularWeight: 421.444183

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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)C(C)C)[N+]4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=O)N(N1)C2=CC=C(C=C2)F)C3=C(C(=O)N(C3=O)C(C)C)[N+]4=CC=CC=C4

InChI

InChI=1S/C23H21FN4O3/c1-4-17-18(22(30)28(25-17)16-10-8-15(24)9-11-16)19-20(26-12-6-5-7-13-26)23(31)27(14(2)3)21(19)29/h5-14H,4H2,1-3H3/p+1