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

Systemtic Name: 3-(2-methyl-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl)-4-(3-methylpyridin-1-ium-1-yl)-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione CAS Name: 3-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-4-(3-methyl-1-pyridin-1-iumyl)-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Traditional Name: 1-benzyl-3-(5-keto-1-methyl-3-phenyl-3-pyrazolin-4-yl)-4-(3-methylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C27H23N4O3+ MolecularWeight: 451.49652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)CC3=CC=CC=C3)C4=C(NN(C4=O)C)C5=CC=CC=C5

Isomeric SMILES

CC1=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)CC3=CC=CC=C3)C4=C(NN(C4=O)C)C5=CC=CC=C5

InChI

InChI=1S/C27H22N4O3/c1-18-10-9-15-30(16-18)24-22(26(33)31(27(24)34)17-19-11-5-3-6-12-19)21-23(28-29(2)25(21)32)20-13-7-4-8-14-20/h3-16H,17H2,1-2H3/p+1