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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C(=C(C1=O)[N+]2=CC=CC=C2)C3=C(NN(C3=O)C4=CC=CC=C4)C(C)C

Isomeric SMILES

CC(C)CN1C(=O)C(=C(C1=O)[N+]2=CC=CC=C2)C3=C(NN(C3=O)C4=CC=CC=C4)C(C)C

InChI

InChI=1S/C25H26N4O3/c1-16(2)15-28-23(30)20(22(25(28)32)27-13-9-6-10-14-27)19-21(17(3)4)26-29(24(19)31)18-11-7-5-8-12-18/h5-14,16-17H,15H2,1-4H3/p+1