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

Systemtic Name: 3-(3-ethylpyridin-1-ium-1-yl)-4-(2-methyl-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl)-1-propyl-pyrrole-2,5-dione Openeye Name: 3-(3-ethylpyridin-1-ium-1-yl)-4-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-1-propyl-pyrrole-2,5-dione CAS Name: 3-(3-ethyl-1-pyridin-1-iumyl)-4-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-1-propylpyrrole-2,5-dione IUPAC Name: 3-(3-ethylpyridin-1-ium-1-yl)-4-(2-methyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)-1-propylpyrrole-2,5-dione Traditional Name: 3-(3-ethylpyridin-1-ium-1-yl)-4-(5-keto-1-methyl-3-phenyl-3-pyrazolin-4-yl)-1-propyl-3-pyrroline-2,5-quinone Formula: C24H25N4O3+ MolecularWeight: 417.4803

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=C(C1=O)[N+]2=CC=CC(=C2)CC)C3=C(NN(C3=O)C)C4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C(=C(C1=O)[N+]2=CC=CC(=C2)CC)C3=C(NN(C3=O)C)C4=CC=CC=C4

InChI

InChI=1S/C24H24N4O3/c1-4-13-28-23(30)19(21(24(28)31)27-14-9-10-16(5-2)15-27)18-20(25-26(3)22(18)29)17-11-7-6-8-12-17/h6-12,14-15H,4-5,13H2,1-3H3/p+1