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

Systemtic Name: 1-cyclohexyl-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-oxidanylidene-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)pyrrole-2,5-dione Openeye Name: 1-cyclohexyl-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(5-isopropyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione CAS Name: 1-cyclohexyl-3-(3,5-dimethyl-1-pyridin-1-iumyl)-4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)pyrrole-2,5-dione IUPAC Name: 1-cyclohexyl-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)pyrrole-2,5-dione Traditional Name: 1-cyclohexyl-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-isopropyl-5-keto-1-phenyl-3-pyrazolin-4-yl)-3-pyrroline-2,5-quinone Formula: C29H33N4O3+ MolecularWeight: 485.59732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C[N+](=C1)C2=C(C(=O)N(C2=O)C3CCCCC3)C4=C(NN(C4=O)C5=CC=CC=C5)C(C)C)C

Isomeric SMILES

CC1=CC(=C[N+](=C1)C2=C(C(=O)N(C2=O)C3CCCCC3)C4=C(NN(C4=O)C5=CC=CC=C5)C(C)C)C

InChI

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