1-cyclohexyl-3-[2-(2,4-dimethylphenyl)-5-ethyl-3-oxidanylidene-1H-pyrazol-4-yl]-4-(4-ethylpyridin-1-ium-1-yl)pyrrole-2,5-dione

Systemtic Name: 1-cyclohexyl-3-[2-(2,4-dimethylphenyl)-5-ethyl-3-oxidanylidene-1H-pyrazol-4-yl]-4-(4-ethylpyridin-1-ium-1-yl)pyrrole-2,5-dione Openeye Name: 1-cyclohexyl-3-[2-(2,4-dimethylphenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-4-(4-ethylpyridin-1-ium-1-yl)pyrrole-2,5-dione CAS Name: 1-cyclohexyl-3-[2-(2,4-dimethylphenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-4-(4-ethyl-1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 1-cyclohexyl-3-[2-(2,4-dimethylphenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-4-(4-ethylpyridin-1-ium-1-yl)pyrrole-2,5-dione Traditional Name: 1-cyclohexyl-3-[1-(2,4-dimethylphenyl)-3-ethyl-5-keto-3-pyrazolin-4-yl]-4-(4-ethylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C30H35N4O3+ MolecularWeight: 499.6239

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=[N+](C=C1)C2=C(C(=O)N(C2=O)C3CCCCC3)C4=C(NN(C4=O)C5=C(C=C(C=C5)C)C)CC

Isomeric SMILES

CCC1=CC=[N+](C=C1)C2=C(C(=O)N(C2=O)C3CCCCC3)C4=C(NN(C4=O)C5=C(C=C(C=C5)C)C)CC

InChI

InChI=1S/C30H34N4O3/c1-5-21-14-16-32(17-15-21)27-26(28(35)33(30(27)37)22-10-8-7-9-11-22)25-23(6-2)31-34(29(25)36)24-13-12-19(3)18-20(24)4/h12-18,22H,5-11H2,1-4H3/p+1