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

Systemtic Name: 1-cyclohexyl-3-[2-(2,4-dimethylphenyl)-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl]-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 1-cyclohexyl-3-[2-(2,4-dimethylphenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 1-cyclohexyl-3-[2-(2,4-dimethylphenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 1-cyclohexyl-3-[2-(2,4-dimethylphenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 1-cyclohexyl-3-[1-(2,4-dimethylphenyl)-5-keto-3-propyl-3-pyrazolin-4-yl]-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C29H33N4O3+ MolecularWeight: 485.59732

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C2=C(C=C(C=C2)C)C)C3=C(C(=O)N(C3=O)C4CCCCC4)[N+]5=CC=CC=C5

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=C(C=C(C=C2)C)C)C3=C(C(=O)N(C3=O)C4CCCCC4)[N+]5=CC=CC=C5

InChI

InChI=1S/C29H32N4O3/c1-4-11-22-24(28(35)33(30-22)23-15-14-19(2)18-20(23)3)25-26(31-16-9-6-10-17-31)29(36)32(27(25)34)21-12-7-5-8-13-21/h6,9-10,14-18,21H,4-5,7-8,11-13H2,1-3H3/p+1