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

Systemtic Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione Openeye Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(5-methyl-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)-4-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(2-oxolanylmethyl)pyrrole-2,5-dione IUPAC Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione Traditional Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-1-(tetrahydrofurfuryl)-3-pyrroline-2,5-quinone Formula: C26H27N4O4+ MolecularWeight: 459.51698

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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

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

InChI

InChI=1S/C26H26N4O4/c1-16-12-17(2)14-28(13-16)23-22(24(31)29(26(23)33)15-20-10-7-11-34-20)21-18(3)27-30(25(21)32)19-8-5-4-6-9-19/h4-6,8-9,12-14,20H,7,10-11,15H2,1-3H3/p+1