1-cyclohexyl-3-(3-ethylpyridin-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-ethylpyridin-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-ethylpyridin-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-ethyl-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-ethylpyridin-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-ethylpyridin-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:

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

Isomeric SMILES

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

InChI

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