(2S)-3-(1-benzofuran-2-ylcarbonyl)-2-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4-oxidanyl-2H-pyrrol-5-one

Systemtic Name: (2S)-3-(1-benzofuran-2-ylcarbonyl)-2-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4-oxidanyl-2H-pyrrol-5-one Openeye Name: (2S)-3-(benzofuran-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one CAS Name: (2S)-3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-2-(3-methoxyphenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]-2H-pyrrol-5-one IUPAC Name: (2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one Traditional Name: (5S)-4-(benzofuran-2-carbonyl)-3-hydroxy-5-(3-methoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-3-pyrrolin-2-one Formula: C26H27N2O6+ MolecularWeight: 463.50238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(=C(C(=O)N2CC[NH+]3CCOCC3)O)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

COC1=CC=CC(=C1)[C@H]2C(=C(C(=O)N2CC[NH+]3CCOCC3)O)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C26H26N2O6/c1-32-19-7-4-6-18(15-19)23-22(24(29)21-16-17-5-2-3-8-20(17)34-21)25(30)26(31)28(23)10-9-27-11-13-33-14-12-27/h2-8,15-16,23,30H,9-14H2,1H3/p+1/t23-/m0/s1