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

Systemtic Name: 3-[2-(3-chlorophenyl)-5-ethyl-3-oxidanylidene-1H-pyrazol-4-yl]-1-(2-methylpropyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 3-[2-(3-chlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-1-isobutyl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 3-[2-(3-chlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-1-(2-methylpropyl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-[2-(3-chlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-1-(2-methylpropyl)-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-[1-(3-chlorophenyl)-3-ethyl-5-keto-3-pyrazolin-4-yl]-1-isobutyl-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C24H24ClN4O3+ MolecularWeight: 451.92536

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)C3=C(C(=O)N(C3=O)CC(C)C)[N+]4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)C3=C(C(=O)N(C3=O)CC(C)C)[N+]4=CC=CC=C4

InChI

InChI=1S/C24H23ClN4O3/c1-4-18-19(23(31)29(26-18)17-10-8-9-16(25)13-17)20-21(27-11-6-5-7-12-27)24(32)28(22(20)30)14-15(2)3/h5-13,15H,4,14H2,1-3H3/p+1