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

Systemtic Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(2-methyl-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl)-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione CAS Name: 3-(3,5-dimethyl-1-pyridin-1-iumyl)-4-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Traditional Name: 1-benzyl-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(5-keto-1-methyl-3-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:

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

Isomeric SMILES

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

InChI

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