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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=C(C1=O)[N+]2=CC=CC(=C2)C)C3=C(NN(C3=O)C4=CC(=C(C=C4)Cl)Cl)C(C)C

Isomeric SMILES

CCCN1C(=O)C(=C(C1=O)[N+]2=CC=CC(=C2)C)C3=C(NN(C3=O)C4=CC(=C(C=C4)Cl)Cl)C(C)C

InChI

InChI=1S/C25H24Cl2N4O3/c1-5-10-30-23(32)20(22(25(30)34)29-11-6-7-15(4)13-29)19-21(14(2)3)28-31(24(19)33)16-8-9-17(26)18(27)12-16/h6-9,11-14H,5,10H2,1-4H3/p+1