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

Systemtic Name: 1-(4-methoxyphenyl)-3-(3-methylpyridin-1-ium-1-yl)-4-(3-oxidanylidene-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)pyrrole-2,5-dione Openeye Name: 3-(5-isopropyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(4-methoxyphenyl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione CAS Name: 1-(4-methoxyphenyl)-3-(3-methyl-1-pyridin-1-iumyl)-4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)pyrrole-2,5-dione IUPAC Name: 1-(4-methoxyphenyl)-3-(3-methylpyridin-1-ium-1-yl)-4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)pyrrole-2,5-dione Traditional Name: 3-(3-isopropyl-5-keto-1-phenyl-3-pyrazolin-4-yl)-1-(4-methoxyphenyl)-4-(3-methylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C29H27N4O4+ MolecularWeight: 495.54908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26N4O4/c1-18(2)25-23(28(35)33(30-25)21-10-6-5-7-11-21)24-26(31-16-8-9-19(3)17-31)29(36)32(27(24)34)20-12-14-22(37-4)15-13-20/h5-18H,1-4H3/p+1