3-[2-(3-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]-1-isopropyl-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C22H20ClN4O3+ MolecularWeight: 423.8722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H19ClN4O3/c1-13(2)26-20(28)18(19(22(26)30)25-10-5-4-6-11-25)17-14(3)24-27(21(17)29)16-9-7-8-15(23)12-16/h4-13H,1-3H3/p+1