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

Systemtic Name: 1-cyclohexyl-3-[2-(2,3-dimethylphenyl)-5-ethyl-3-oxidanylidene-1H-pyrazol-4-yl]-4-(3-ethylpyridin-1-ium-1-yl)pyrrole-2,5-dione Openeye Name: 1-cyclohexyl-3-[2-(2,3-dimethylphenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-4-(3-ethylpyridin-1-ium-1-yl)pyrrole-2,5-dione CAS Name: 1-cyclohexyl-3-[2-(2,3-dimethylphenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-4-(3-ethyl-1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 1-cyclohexyl-3-[2-(2,3-dimethylphenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-4-(3-ethylpyridin-1-ium-1-yl)pyrrole-2,5-dione Traditional Name: 1-cyclohexyl-3-[1-(2,3-dimethylphenyl)-3-ethyl-5-keto-3-pyrazolin-4-yl]-4-(3-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=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)C3CCCCC3)C4=C(NN(C4=O)C5=CC=CC(=C5C)C)CC

Isomeric SMILES

CCC1=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)C3CCCCC3)C4=C(NN(C4=O)C5=CC=CC(=C5C)C)CC

InChI

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