2-(4-tert-butylphenyl)-3-(furan-2-ylcarbonyl)-4-oxidanyl-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-5-one

Systemtic Name: 2-(4-tert-butylphenyl)-3-(furan-2-ylcarbonyl)-4-oxidanyl-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-5-one Openeye Name: 2-(4-tert-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-5-one CAS Name: 2-(4-tert-butylphenyl)-3-[2-furanyl(oxo)methyl]-4-hydroxy-1-(3-pyridin-1-iumylmethyl)-2H-pyrrol-5-one IUPAC Name: 2-(4-tert-butylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-5-one Traditional Name: 5-(4-tert-butylphenyl)-4-(2-furoyl)-3-hydroxy-1-(pyridin-1-ium-3-ylmethyl)-3-pyrrolin-2-one Formula: C25H25N2O4+ MolecularWeight: 417.477

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)O)C(=O)C4=CC=CO4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)O)C(=O)C4=CC=CO4

InChI

InChI=1S/C25H24N2O4/c1-25(2,3)18-10-8-17(9-11-18)21-20(22(28)19-7-5-13-31-19)23(29)24(30)27(21)15-16-6-4-12-26-14-16/h4-14,21,29H,15H2,1-3H3/p+1