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

Systemtic Name: 3-[2-(3,4-dichlorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]-4-(4-methylpyridin-1-ium-1-yl)-1-propan-2-yl-pyrrole-2,5-dione Openeye Name: 3-[2-(3,4-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-isopropyl-4-(4-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione CAS Name: 3-[2-(3,4-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-4-(4-methyl-1-pyridin-1-iumyl)-1-propan-2-ylpyrrole-2,5-dione IUPAC Name: 3-[2-(3,4-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-4-(4-methylpyridin-1-ium-1-yl)-1-propan-2-ylpyrrole-2,5-dione Traditional Name: 3-[1-(3,4-dichlorophenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]-1-isopropyl-4-(4-methylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C23H21Cl2N4O3+ MolecularWeight: 472.34384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20Cl2N4O3/c1-12(2)28-21(30)19(20(23(28)32)27-9-7-13(3)8-10-27)18-14(4)26-29(22(18)31)15-5-6-16(24)17(25)11-15/h5-12H,1-4H3/p+1