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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C[N+](=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=CC=C4)C)C(C)C)[O-])C

Isomeric SMILES

CC1=CC(=C[N+](=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=CC=C4)C)C(C)C)[O-])C

InChI

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