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

Systemtic Name: 3-(5-ethyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-4-(3-ethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)pyrrole-2,5-dione Openeye Name: 3-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(3-ethylpyridin-1-ium-1-yl)-1-isobutyl-pyrrole-2,5-dione CAS Name: 3-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(3-ethyl-1-pyridin-1-iumyl)-1-(2-methylpropyl)pyrrole-2,5-dione IUPAC Name: 3-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(3-ethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)pyrrole-2,5-dione Traditional Name: 3-(3-ethyl-5-keto-1-phenyl-3-pyrazolin-4-yl)-4-(3-ethylpyridin-1-ium-1-yl)-1-isobutyl-3-pyrroline-2,5-quinone Formula: C26H29N4O3+ MolecularWeight: 445.53346

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)CC(C)C)C3=C(NN(C3=O)C4=CC=CC=C4)CC

Isomeric SMILES

CCC1=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)CC(C)C)C3=C(NN(C3=O)C4=CC=CC=C4)CC

InChI

InChI=1S/C26H28N4O3/c1-5-18-11-10-14-28(16-18)23-22(24(31)29(26(23)33)15-17(3)4)21-20(6-2)27-30(25(21)32)19-12-8-7-9-13-19/h7-14,16-17H,5-6,15H2,1-4H3/p+1