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

Systemtic Name: 3-[(2R)-3-(1-benzofuran-2-ylcarbonyl)-2-(4-ethoxyphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2R)-3-(benzofuran-2-carbonyl)-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2R)-3-[2-benzofuranyl(oxo)methyl]-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2R)-3-(1-benzofuran-2-carbonyl)-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(5R)-4-(benzofuran-2-carbonyl)-3-hydroxy-2-keto-5-p-phenetyl-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C26H29N2O5+ MolecularWeight: 449.51886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[NH+](C)C)O)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCOC1=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/C26H28N2O5/c1-4-32-19-12-10-17(11-13-19)23-22(25(30)26(31)28(23)15-7-14-27(2)3)24(29)21-16-18-8-5-6-9-20(18)33-21/h5-6,8-13,16,23,30H,4,7,14-15H2,1-3H3/p+1/t23-/m1/s1