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

Systemtic Name: 3-[2-(2,3-dimethylphenyl)-5-ethyl-3-oxidanylidene-1H-pyrazol-4-yl]-4-(3,4-dimethylpyridin-1-ium-1-yl)-1-phenyl-pyrrole-2,5-dione Openeye Name: 3-[2-(2,3-dimethylphenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-4-(3,4-dimethylpyridin-1-ium-1-yl)-1-phenyl-pyrrole-2,5-dione CAS Name: 3-[2-(2,3-dimethylphenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-4-(3,4-dimethyl-1-pyridin-1-iumyl)-1-phenylpyrrole-2,5-dione IUPAC Name: 3-[2-(2,3-dimethylphenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-4-(3,4-dimethylpyridin-1-ium-1-yl)-1-phenylpyrrole-2,5-dione Traditional Name: 3-[1-(2,3-dimethylphenyl)-3-ethyl-5-keto-3-pyrazolin-4-yl]-4-(3,4-dimethylpyridin-1-ium-1-yl)-1-phenyl-3-pyrroline-2,5-quinone Formula: C30H29N4O3+ MolecularWeight: 493.57626

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N(N1)C2=CC=CC(=C2C)C)C3=C(C(=O)N(C3=O)C4=CC=CC=C4)[N+]5=CC(=C(C=C5)C)C

Isomeric SMILES

CCC1=C(C(=O)N(N1)C2=CC=CC(=C2C)C)C3=C(C(=O)N(C3=O)C4=CC=CC=C4)[N+]5=CC(=C(C=C5)C)C

InChI

InChI=1S/C30H28N4O3/c1-6-23-25(29(36)34(31-23)24-14-10-11-19(3)21(24)5)26-27(32-16-15-18(2)20(4)17-32)30(37)33(28(26)35)22-12-8-7-9-13-22/h7-17H,6H2,1-5H3/p+1