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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C2=CC(=C(C=C2)Cl)Cl)C3=C(C(=O)N(C3=O)CC(C)C)[N+]4=CC=CC=C4

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC(=C(C=C2)Cl)Cl)C3=C(C(=O)N(C3=O)CC(C)C)[N+]4=CC=CC=C4

InChI

InChI=1S/C25H24Cl2N4O3/c1-4-8-19-20(24(33)31(28-19)16-9-10-17(26)18(27)13-16)21-22(29-11-6-5-7-12-29)25(34)30(23(21)32)14-15(2)3/h5-7,9-13,15H,4,8,14H2,1-3H3/p+1