3-[2-(3,4-dichlorophenyl)-3-oxidanylidene-5-propan-2-yl-1H-pyrazol-4-yl]-1-(4-methylphenyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione

Systemtic Name: 3-[2-(3,4-dichlorophenyl)-3-oxidanylidene-5-propan-2-yl-1H-pyrazol-4-yl]-1-(4-methylphenyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 3-[2-(3,4-dichlorophenyl)-5-isopropyl-3-oxo-1H-pyrazol-4-yl]-1-(p-tolyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 3-[2-(3,4-dichlorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-1-(4-methylphenyl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-[2-(3,4-dichlorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-1-(4-methylphenyl)-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-[1-(3,4-dichlorophenyl)-3-isopropyl-5-keto-3-pyrazolin-4-yl]-1-(p-tolyl)-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C28H23Cl2N4O3+ MolecularWeight: 534.41322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)[N+]3=CC=CC=C3)C4=C(NN(C4=O)C5=CC(=C(C=C5)Cl)Cl)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)[N+]3=CC=CC=C3)C4=C(NN(C4=O)C5=CC(=C(C=C5)Cl)Cl)C(C)C

InChI

InChI=1S/C28H22Cl2N4O3/c1-16(2)24-22(27(36)34(31-24)19-11-12-20(29)21(30)15-19)23-25(32-13-5-4-6-14-32)28(37)33(26(23)35)18-9-7-17(3)8-10-18/h4-16H,1-3H3/p+1