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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C(C)C)[O-])[N+]3=CC(=CC(=C3)C)C)C4=CC=CC=C4

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/2\C(=C(N(C2=O)C(C)C)[O-])[N+]3=CC(=CC(=C3)C)C)C4=CC=CC=C4

InChI

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