3-(3-ethylpyridin-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-ethylpyridin-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-ethylpyridin-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-ethyl-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-ethylpyridin-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-ethylpyridin-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:

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

Isomeric SMILES

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

InChI

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