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

Systemtic Name: 3-[2-(2,4-dimethylphenyl)-5-ethyl-3-oxidanylidene-1H-pyrazol-4-yl]-4-(4-methylpyridin-1-ium-1-yl)-1-phenyl-pyrrole-2,5-dione Openeye Name: 3-[2-(2,4-dimethylphenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-4-(4-methylpyridin-1-ium-1-yl)-1-phenyl-pyrrole-2,5-dione CAS Name: 3-[2-(2,4-dimethylphenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-4-(4-methyl-1-pyridin-1-iumyl)-1-phenylpyrrole-2,5-dione IUPAC Name: 3-[2-(2,4-dimethylphenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-4-(4-methylpyridin-1-ium-1-yl)-1-phenylpyrrole-2,5-dione Traditional Name: 3-[1-(2,4-dimethylphenyl)-3-ethyl-5-keto-3-pyrazolin-4-yl]-4-(4-methylpyridin-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(C(=O)N(N1)C2=C(C=C(C=C2)C)C)C3=C(C(=O)N(C3=O)C4=CC=CC=C4)[N+]5=CC=C(C=C5)C

Isomeric SMILES

CCC1=C(C(=O)N(N1)C2=C(C=C(C=C2)C)C)C3=C(C(=O)N(C3=O)C4=CC=CC=C4)[N+]5=CC=C(C=C5)C

InChI

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