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

Systemtic Name: 3-[2-(3,4-dichlorophenyl)-3-oxidanylidene-5-propan-2-yl-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)-1-propan-2-yl-pyrrole-2,5-dione Openeye Name: 3-[2-(3,4-dichlorophenyl)-5-isopropyl-3-oxo-1H-pyrazol-4-yl]-1-isopropyl-4-(3-methylpyridin-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]-4-(3-methyl-1-pyridin-1-iumyl)-1-propan-2-ylpyrrole-2,5-dione IUPAC Name: 3-[2-(3,4-dichlorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)-1-propan-2-ylpyrrole-2,5-dione Traditional Name: 3-[1-(3,4-dichlorophenyl)-3-isopropyl-5-keto-3-pyrazolin-4-yl]-1-isopropyl-4-(3-methylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C25H25Cl2N4O3+ MolecularWeight: 500.397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24Cl2N4O3/c1-13(2)21-19(24(33)31(28-21)16-8-9-17(26)18(27)11-16)20-22(29-10-6-7-15(5)12-29)25(34)30(14(3)4)23(20)32/h6-14H,1-5H3/p+1