3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(3-ethyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-1-[(4-fluorophenyl)methyl]-5-oxidanylidene-pyrrol-2-olate

Systemtic Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(3-ethyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-1-[(4-fluorophenyl)methyl]-5-oxidanylidene-pyrrol-2-olate Openeye Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(3-ethyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-1-[(4-fluorophenyl)methyl]-5-oxo-pyrrol-2-olate CAS Name: 3-(3,4-dimethyl-1-pyridin-1-iumyl)-4-(3-ethyl-5-oxo-1-phenyl-4-pyrazolylidene)-1-[(4-fluorophenyl)methyl]-5-oxo-2-pyrrololate IUPAC Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(3-ethyl-5-oxo-1-phenylpyrazol-4-ylidene)-1-[(4-fluorophenyl)methyl]-5-oxopyrrol-2-olate Traditional Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(3-ethyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)-1-(4-fluorobenzyl)-5-keto-2-pyrrolin-2-olate Formula: C29H25FN4O3 MolecularWeight: 496.532203

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)CC3=CC=C(C=C3)F)[O-])[N+]4=CC(=C(C=C4)C)C)C5=CC=CC=C5

Isomeric SMILES

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)CC3=CC=C(C=C3)F)[O-])[N+]4=CC(=C(C=C4)C)C)C5=CC=CC=C5

InChI

InChI=1S/C29H25FN4O3/c1-4-23-24(28(36)34(31-23)22-8-6-5-7-9-22)25-26(32-15-14-18(2)19(3)16-32)29(37)33(27(25)35)17-20-10-12-21(30)13-11-20/h5-16H,4,17H2,1-3H3