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

Systemtic Name: (4E)-3-(3,4-dimethylpyridin-1-ium-1-yl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propan-2-yl-pyrazol-4-ylidene)-1-propyl-pyrrol-2-olate Openeye Name: (4E)-3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(3-isopropyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-5-oxo-1-propyl-pyrrol-2-olate CAS Name: (4E)-3-(3,4-dimethyl-1-pyridin-1-iumyl)-5-oxo-4-(5-oxo-1-phenyl-3-propan-2-yl-4-pyrazolylidene)-1-propyl-2-pyrrololate IUPAC Name: (4E)-3-(3,4-dimethylpyridin-1-ium-1-yl)-5-oxo-4-(5-oxo-1-phenyl-3-propan-2-ylpyrazol-4-ylidene)-1-propylpyrrol-2-olate Traditional Name: (4E)-3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(3-isopropyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)-5-keto-1-propyl-2-pyrrolin-2-olate Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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