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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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