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

Systemtic Name: 3-[2-(2,4-dimethylphenyl)-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)-1-phenyl-pyrrole-2,5-dione Openeye Name: 3-[2-(2,4-dimethylphenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)-1-phenyl-pyrrole-2,5-dione CAS Name: 3-[2-(2,4-dimethylphenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-(3-methyl-1-pyridin-1-iumyl)-1-phenylpyrrole-2,5-dione IUPAC Name: 3-[2-(2,4-dimethylphenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)-1-phenylpyrrole-2,5-dione Traditional Name: 3-[1-(2,4-dimethylphenyl)-5-keto-3-propyl-3-pyrazolin-4-yl]-4-(3-methylpyridin-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:

CCCC1=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=CC(=C5)C

Isomeric SMILES

CCCC1=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=CC(=C5)C

InChI

InChI=1S/C30H28N4O3/c1-5-10-23-25(29(36)34(31-23)24-15-14-19(2)17-21(24)4)26-27(32-16-9-11-20(3)18-32)30(37)33(28(26)35)22-12-7-6-8-13-22/h6-9,11-18H,5,10H2,1-4H3/p+1