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

Systemtic Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-oxidanylidene-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione Openeye Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(5-isopropyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(tetrahydrofuran-2-ylmethyl)pyrrole-2,5-dione CAS Name: 3-(3,5-dimethyl-1-pyridin-1-iumyl)-1-(2-oxolanylmethyl)-4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)pyrrole-2,5-dione IUPAC Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(oxolan-2-ylmethyl)-4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)pyrrole-2,5-dione Traditional Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-isopropyl-5-keto-1-phenyl-3-pyrazolin-4-yl)-1-(tetrahydrofurfuryl)-3-pyrroline-2,5-quinone Formula: C28H31N4O4+ MolecularWeight: 487.57014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C[N+](=C1)C2=C(C(=O)N(C2=O)CC3CCCO3)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)CC3CCCO3)C4=C(NN(C4=O)C5=CC=CC=C5)C(C)C)C

InChI

InChI=1S/C28H30N4O4/c1-17(2)24-22(27(34)32(29-24)20-9-6-5-7-10-20)23-25(30-14-18(3)13-19(4)15-30)28(35)31(26(23)33)16-21-11-8-12-36-21/h5-7,9-10,13-15,17,21H,8,11-12,16H2,1-4H3/p+1