1-cyclohexyl-4-[1-(2,4-dimethylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate

Systemtic Name: 1-cyclohexyl-4-[1-(2,4-dimethylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: 1-cyclohexyl-4-[1-(2,4-dimethylphenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-5-oxo-pyrrol-2-olate CAS Name: 1-cyclohexyl-4-[1-(2,4-dimethylphenyl)-3-methyl-5-oxo-4-pyrazolylidene]-3-(4-ethyl-1-pyridin-1-iumyl)-5-oxo-2-pyrrololate IUPAC Name: 1-cyclohexyl-4-[1-(2,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: 1-cyclohexyl-4-[1-(2,4-dimethylphenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-5-keto-2-pyrrolin-2-olate Formula: C29H32N4O3 MolecularWeight: 484.58938

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=[N+](C=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=C(C=C(C=C4)C)C)C)C5CCCCC5)[O-]

Isomeric SMILES

CCC1=CC=[N+](C=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=C(C=C(C=C4)C)C)C)C5CCCCC5)[O-]

InChI

InChI=1S/C29H32N4O3/c1-5-21-13-15-31(16-14-21)26-25(27(34)32(29(26)36)22-9-7-6-8-10-22)24-20(4)30-33(28(24)35)23-12-11-18(2)17-19(23)3/h11-17,22H,5-10H2,1-4H3