3-(3,4-dimethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-4-(3-oxidanylidene-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)pyrrole-2,5-dione

Systemtic Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-4-(3-oxidanylidene-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)pyrrole-2,5-dione Openeye Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(5-isopropyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(m-tolyl)pyrrole-2,5-dione CAS Name: 3-(3,4-dimethyl-1-pyridin-1-iumyl)-1-(3-methylphenyl)-4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)pyrrole-2,5-dione IUPAC Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)pyrrole-2,5-dione Traditional Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(3-isopropyl-5-keto-1-phenyl-3-pyrazolin-4-yl)-1-(m-tolyl)-3-pyrroline-2,5-quinone Formula: C30H29N4O3+ MolecularWeight: 493.57626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=C(C2=O)[N+]3=CC(=C(C=C3)C)C)C4=C(NN(C4=O)C5=CC=CC=C5)C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C(=C(C2=O)[N+]3=CC(=C(C=C3)C)C)C4=C(NN(C4=O)C5=CC=CC=C5)C(C)C

InChI

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