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

Systemtic Name: 3-[2-(3-chlorophenyl)-3-oxidanylidene-5-propan-2-yl-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)-1-phenyl-pyrrole-2,5-dione Openeye Name: 3-[2-(3-chlorophenyl)-5-isopropyl-3-oxo-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)-1-phenyl-pyrrole-2,5-dione CAS Name: 3-[2-(3-chlorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-4-(3-methyl-1-pyridin-1-iumyl)-1-phenylpyrrole-2,5-dione IUPAC Name: 3-[2-(3-chlorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)-1-phenylpyrrole-2,5-dione Traditional Name: 3-[1-(3-chlorophenyl)-3-isopropyl-5-keto-3-pyrazolin-4-yl]-4-(3-methylpyridin-1-ium-1-yl)-1-phenyl-3-pyrroline-2,5-quinone Formula: C28H24ClN4O3+ MolecularWeight: 499.96816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)C3=CC=CC=C3)C4=C(NN(C4=O)C5=CC(=CC=C5)Cl)C(C)C

Isomeric SMILES

CC1=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)C3=CC=CC=C3)C4=C(NN(C4=O)C5=CC(=CC=C5)Cl)C(C)C

InChI

InChI=1S/C28H23ClN4O3/c1-17(2)24-22(27(35)33(30-24)21-13-7-10-19(29)15-21)23-25(31-14-8-9-18(3)16-31)28(36)32(26(23)34)20-11-5-4-6-12-20/h4-17H,1-3H3/p+1