1-cyclohexyl-3-[2-(2,3-dimethylphenyl)-5-ethyl-3-oxidanylidene-1H-pyrazol-4-yl]-4-(3-methylpyridin-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-methylpyridin-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-methylpyridin-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-methyl-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-methylpyridin-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-methylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C29H33N4O3+ MolecularWeight: 485.59732

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N(N1)C2=CC=CC(=C2C)C)C3=C(C(=O)N(C3=O)C4CCCCC4)[N+]5=CC=CC(=C5)C

Isomeric SMILES

CCC1=C(C(=O)N(N1)C2=CC=CC(=C2C)C)C3=C(C(=O)N(C3=O)C4CCCCC4)[N+]5=CC=CC(=C5)C

InChI

InChI=1S/C29H32N4O3/c1-5-22-24(28(35)33(30-22)23-15-9-12-19(3)20(23)4)25-26(31-16-10-11-18(2)17-31)29(36)32(27(25)34)21-13-7-6-8-14-21/h9-12,15-17,21H,5-8,13-14H2,1-4H3/p+1