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

Systemtic Name: 3-(5-ethyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-1-(2-methylpropyl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Openeye Name: 3-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-isobutyl-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione CAS Name: 3-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(2-methylpropyl)-4-(3-methyl-1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(2-methylpropyl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Traditional Name: 3-(3-ethyl-5-keto-1-phenyl-3-pyrazolin-4-yl)-1-isobutyl-4-(3-methylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C25H27N4O3+ MolecularWeight: 431.50688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O3/c1-5-19-20(24(31)29(26-19)18-11-7-6-8-12-18)21-22(27-13-9-10-17(4)15-27)25(32)28(23(21)30)14-16(2)3/h6-13,15-16H,5,14H2,1-4H3/p+1