2-[(2S)-3-(1-benzofuran-2-ylcarbonyl)-2-(2-methoxyphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[(2S)-3-(1-benzofuran-2-ylcarbonyl)-2-(2-methoxyphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[(2S)-3-(benzofuran-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[(2S)-3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-diethylammonium IUPAC Name: 2-[(2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-diethylazanium Traditional Name: 2-[(5S)-4-(benzofuran-2-carbonyl)-3-hydroxy-2-keto-5-(2-methoxyphenyl)-3-pyrrolin-1-yl]ethyl-diethyl-ammonium Formula: C26H29N2O5+ MolecularWeight: 449.51886

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC=CC=C4OC

Isomeric SMILES

CC[NH+](CC)CCN1[C@H](C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC=CC=C4OC

InChI

InChI=1S/C26H28N2O5/c1-4-27(5-2)14-15-28-23(18-11-7-9-13-20(18)32-3)22(25(30)26(28)31)24(29)21-16-17-10-6-8-12-19(17)33-21/h6-13,16,23,30H,4-5,14-15H2,1-3H3/p+1/t23-/m0/s1