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

Systemtic Name: 1-cyclohexyl-4-[1-(2,4-dimethylphenyl)-3-ethyl-5-oxidanylidene-pyrazol-4-ylidene]-3-(3-ethylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: 1-cyclohexyl-4-[1-(2,4-dimethylphenyl)-3-ethyl-5-oxo-pyrazol-4-ylidene]-3-(3-ethylpyridin-1-ium-1-yl)-5-oxo-pyrrol-2-olate CAS Name: 1-cyclohexyl-4-[1-(2,4-dimethylphenyl)-3-ethyl-5-oxo-4-pyrazolylidene]-3-(3-ethyl-1-pyridin-1-iumyl)-5-oxo-2-pyrrololate IUPAC Name: 1-cyclohexyl-4-[1-(2,4-dimethylphenyl)-3-ethyl-5-oxopyrazol-4-ylidene]-3-(3-ethylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: 1-cyclohexyl-4-[1-(2,4-dimethylphenyl)-3-ethyl-5-keto-2-pyrazolin-4-ylidene]-3-(3-ethylpyridin-1-ium-1-yl)-5-keto-2-pyrrolin-2-olate Formula: C30H34N4O3 MolecularWeight: 498.61596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H34N4O3/c1-5-21-11-10-16-32(18-21)27-26(28(35)33(30(27)37)22-12-8-7-9-13-22)25-23(6-2)31-34(29(25)36)24-15-14-19(3)17-20(24)4/h10-11,14-18,22H,5-9,12-13H2,1-4H3