3-[2-(3-chlorophenyl)-5-ethyl-3-oxidanylidene-1H-pyrazol-4-yl]-4-(3-ethylpyridin-1-ium-1-yl)-1-phenyl-pyrrole-2,5-dione

Systemtic Name: 3-[2-(3-chlorophenyl)-5-ethyl-3-oxidanylidene-1H-pyrazol-4-yl]-4-(3-ethylpyridin-1-ium-1-yl)-1-phenyl-pyrrole-2,5-dione Openeye Name: 3-[2-(3-chlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-4-(3-ethylpyridin-1-ium-1-yl)-1-phenyl-pyrrole-2,5-dione CAS Name: 3-[2-(3-chlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-4-(3-ethyl-1-pyridin-1-iumyl)-1-phenylpyrrole-2,5-dione IUPAC Name: 3-[2-(3-chlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-4-(3-ethylpyridin-1-ium-1-yl)-1-phenylpyrrole-2,5-dione Traditional Name: 3-[1-(3-chlorophenyl)-3-ethyl-5-keto-3-pyrazolin-4-yl]-4-(3-ethylpyridin-1-ium-1-yl)-1-phenyl-3-pyrroline-2,5-quinone Formula: C28H24ClN4O3+ MolecularWeight: 499.96816

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)C3=CC=CC=C3)C4=C(NN(C4=O)C5=CC(=CC=C5)Cl)CC

Isomeric SMILES

CCC1=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)C3=CC=CC=C3)C4=C(NN(C4=O)C5=CC(=CC=C5)Cl)CC

InChI

InChI=1S/C28H23ClN4O3/c1-3-18-10-9-15-31(17-18)25-24(26(34)32(28(25)36)20-12-6-5-7-13-20)23-22(4-2)30-33(27(23)35)21-14-8-11-19(29)16-21/h5-17H,3-4H2,1-2H3/p+1