1-cyclohexyl-3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(5-ethyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione

Systemtic Name: 1-cyclohexyl-3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(5-ethyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Openeye Name: 1-cyclohexyl-3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione CAS Name: 1-cyclohexyl-3-(3,4-dimethyl-1-pyridin-1-iumyl)-4-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione IUPAC Name: 1-cyclohexyl-3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Traditional Name: 1-cyclohexyl-3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(3-ethyl-5-keto-1-phenyl-3-pyrazolin-4-yl)-3-pyrroline-2,5-quinone Formula: C28H31N4O3+ MolecularWeight: 471.57074

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4CCCCC4)[N+]5=CC(=C(C=C5)C)C

Isomeric SMILES

CCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4CCCCC4)[N+]5=CC(=C(C=C5)C)C

InChI

InChI=1S/C28H30N4O3/c1-4-22-23(27(34)32(29-22)21-13-9-6-10-14-21)24-25(30-16-15-18(2)19(3)17-30)28(35)31(26(24)33)20-11-7-5-8-12-20/h6,9-10,13-17,20H,4-5,7-8,11-12H2,1-3H3/p+1