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

Systemtic Name: 3-[2-(3,4-dichlorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]-1-propan-2-yl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 3-[2-(3,4-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-isopropyl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 3-[2-(3,4-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-propan-2-yl-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-[2-(3,4-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-propan-2-yl-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-[1-(3,4-dichlorophenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]-1-isopropyl-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C22H19Cl2N4O3+ MolecularWeight: 458.31726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC(=C(C=C2)Cl)Cl)C3=C(C(=O)N(C3=O)C(C)C)[N+]4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC(=C(C=C2)Cl)Cl)C3=C(C(=O)N(C3=O)C(C)C)[N+]4=CC=CC=C4

InChI

InChI=1S/C22H18Cl2N4O3/c1-12(2)27-20(29)18(19(22(27)31)26-9-5-4-6-10-26)17-13(3)25-28(21(17)30)14-7-8-15(23)16(24)11-14/h4-12H,1-3H3/p+1