1-(2-methylpropyl)-3-(3-oxidanylidene-2-phenyl-5-propyl-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-propyl-1H-pyrazol-4-yl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 1-isobutyl-3-(3-oxo-2-phenyl-5-propyl-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-propyl-1H-pyrazol-4-yl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 1-(2-methylpropyl)-3-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 1-isobutyl-3-(5-keto-1-phenyl-3-propyl-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:

CCCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)CC(C)C)[N+]4=CC=CC=C4

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)CC(C)C)[N+]4=CC=CC=C4

InChI

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