3-[(2R)-3-(1-benzofuran-2-ylcarbonyl)-2-(4-tert-butylphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[(2R)-3-(1-benzofuran-2-ylcarbonyl)-2-(4-tert-butylphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2R)-3-(benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2R)-3-[2-benzofuranyl(oxo)methyl]-2-(4-tert-butylphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2R)-3-(1-benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(2R)-3-(benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-4-hydroxy-5-keto-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C28H33N2O4+ MolecularWeight: 461.57262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[NH+](C)C)O)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@@H]2C(=C(C(=O)N2CCC[NH+](C)C)O)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C28H32N2O4/c1-28(2,3)20-13-11-18(12-14-20)24-23(26(32)27(33)30(24)16-8-15-29(4)5)25(31)22-17-19-9-6-7-10-21(19)34-22/h6-7,9-14,17,24,32H,8,15-16H2,1-5H3/p+1/t24-/m1/s1