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

Systemtic Name: 3-[2-(4-fluorophenyl)-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl]-1-propyl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 3-[2-(4-fluorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-1-propyl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 3-[2-(4-fluorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-1-propyl-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-[2-(4-fluorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-1-propyl-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-[1-(4-fluorophenyl)-5-keto-3-propyl-3-pyrazolin-4-yl]-1-propyl-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C24H24FN4O3+ MolecularWeight: 435.470763

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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)CCC)[N+]4=CC=CC=C4

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC=C(C=C2)F)C3=C(C(=O)N(C3=O)CCC)[N+]4=CC=CC=C4

InChI

InChI=1S/C24H23FN4O3/c1-3-8-18-19(23(31)29(26-18)17-11-9-16(25)10-12-17)20-21(27-14-6-5-7-15-27)24(32)28(13-4-2)22(20)30/h5-7,9-12,14-15H,3-4,8,13H2,1-2H3/p+1