3-(3-ethylpyridin-1-ium-1-yl)-4-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-1-(phenylmethyl)pyrrole-2,5-dione

Systemtic Name: 3-(3-ethylpyridin-1-ium-1-yl)-4-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(3-ethylpyridin-1-ium-1-yl)-4-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione CAS Name: 3-(3-ethyl-1-pyridin-1-iumyl)-4-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(3-ethylpyridin-1-ium-1-yl)-4-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Traditional Name: 1-benzyl-3-(3-ethylpyridin-1-ium-1-yl)-4-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-3-pyrroline-2,5-quinone Formula: C28H25N4O3+ MolecularWeight: 465.5231

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)CC3=CC=CC=C3)C4=C(NN(C4=O)C5=CC=CC=C5)C

Isomeric SMILES

CCC1=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)CC3=CC=CC=C3)C4=C(NN(C4=O)C5=CC=CC=C5)C

InChI

InChI=1S/C28H24N4O3/c1-3-20-13-10-16-30(17-20)25-24(26(33)31(28(25)35)18-21-11-6-4-7-12-21)23-19(2)29-32(27(23)34)22-14-8-5-9-15-22/h4-17H,3,18H2,1-2H3/p+1