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

Systemtic Name: 3-[2-(2,4-dimethylphenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]-4-(3-ethylpyridin-1-ium-1-yl)-1-phenyl-pyrrole-2,5-dione Openeye Name: 3-[2-(2,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-4-(3-ethylpyridin-1-ium-1-yl)-1-phenyl-pyrrole-2,5-dione CAS Name: 3-[2-(2,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-4-(3-ethyl-1-pyridin-1-iumyl)-1-phenylpyrrole-2,5-dione IUPAC Name: 3-[2-(2,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-4-(3-ethylpyridin-1-ium-1-yl)-1-phenylpyrrole-2,5-dione Traditional Name: 3-[1-(2,4-dimethylphenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]-4-(3-ethylpyridin-1-ium-1-yl)-1-phenyl-3-pyrroline-2,5-quinone Formula: C29H27N4O3+ MolecularWeight: 479.54968

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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=C(C=C(C=C5)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H26N4O3/c1-5-21-10-9-15-31(17-21)26-25(27(34)32(29(26)36)22-11-7-6-8-12-22)24-20(4)30-33(28(24)35)23-14-13-18(2)16-19(23)3/h6-17H,5H2,1-4H3/p+1