5-(4-tert-butylphenyl)-4-(5-methylfuran-2-yl)carbonyl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione

Systemtic Name: 5-(4-tert-butylphenyl)-4-(5-methylfuran-2-yl)carbonyl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione Openeye Name: 5-(4-tert-butylphenyl)-4-(5-methylfuran-2-carbonyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione CAS Name: 5-(4-tert-butylphenyl)-4-[(5-methyl-2-furanyl)-oxomethyl]-1-(3-pyridin-1-iumylmethyl)pyrrolidine-2,3-dione IUPAC Name: 5-(4-tert-butylphenyl)-4-(5-methylfuran-2-carbonyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione Traditional Name: 5-(4-tert-butylphenyl)-4-(5-methyl-2-furoyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-quinone Formula: C26H27N2O4+ MolecularWeight: 431.50358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(=O)C2C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(O1)C(=O)C2C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C26H26N2O4/c1-16-7-12-20(32-16)23(29)21-22(18-8-10-19(11-9-18)26(2,3)4)28(25(31)24(21)30)15-17-6-5-13-27-14-17/h5-14,21-22H,15H2,1-4H3/p+1