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

Systemtic Name: (4E)-3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propan-2-yl-pyrazol-4-ylidene)pyrrol-2-olate Openeye Name: (4E)-3-(3,5-dimethylpyridin-1-ium-1-yl)-1-isobutyl-4-(3-isopropyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-5-oxo-pyrrol-2-olate CAS Name: (4E)-3-(3,5-dimethyl-1-pyridin-1-iumyl)-1-(2-methylpropyl)-5-oxo-4-(5-oxo-1-phenyl-3-propan-2-yl-4-pyrazolylidene)-2-pyrrololate IUPAC Name: (4E)-3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)-5-oxo-4-(5-oxo-1-phenyl-3-propan-2-ylpyrazol-4-ylidene)pyrrol-2-olate Traditional Name: (4E)-3-(3,5-dimethylpyridin-1-ium-1-yl)-1-isobutyl-4-(3-isopropyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)-5-keto-2-pyrrolin-2-olate Formula: C27H30N4O3 MolecularWeight: 458.5521

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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)CC(C)C)[O-])C

Isomeric SMILES

CC1=CC(=C[N+](=C1)C\2=C(N(C(=O)/C2=C/3\C(=NN(C3=O)C4=CC=CC=C4)C(C)C)CC(C)C)[O-])C

InChI

InChI=1S/C27H30N4O3/c1-16(2)13-30-25(32)22(24(27(30)34)29-14-18(5)12-19(6)15-29)21-23(17(3)4)28-31(26(21)33)20-10-8-7-9-11-20/h7-12,14-17H,13H2,1-6H3