(4E)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-5-oxidanylidene-1-propyl-pyrrol-2-olate

Systemtic Name: (4E)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-5-oxidanylidene-1-propyl-pyrrol-2-olate Openeye Name: (4E)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-5-oxo-1-propyl-pyrrol-2-olate CAS Name: (4E)-3-(3,5-dimethyl-1-pyridin-1-iumyl)-4-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)-5-oxo-1-propyl-2-pyrrololate IUPAC Name: (4E)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-5-oxo-1-propylpyrrol-2-olate Traditional Name: (4E)-3-(3,5-dimethylpyridin-1-ium-1-yl)-5-keto-4-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)-1-propyl-2-pyrrolin-2-olate Formula: C24H24N4O3 MolecularWeight: 416.47236

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=C2C(=NN(C2=O)C3=CC=CC=C3)C)C1=O)[N+]4=CC(=CC(=C4)C)C)[O-]

Isomeric SMILES

CCCN1C(=C(/C(=C\2/C(=NN(C2=O)C3=CC=CC=C3)C)/C1=O)[N+]4=CC(=CC(=C4)C)C)[O-]

InChI

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