(2S)-3-(1-benzofuran-2-ylcarbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-2-pyridin-3-yl-2H-pyrrol-5-one

Systemtic Name: (2S)-3-(1-benzofuran-2-ylcarbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-2-pyridin-3-yl-2H-pyrrol-5-one Openeye Name: (2S)-3-(benzofuran-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2-(3-pyridyl)-2H-pyrrol-5-one CAS Name: (2S)-3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-1-[3-(4-morpholin-4-iumyl)propyl]-2-(3-pyridinyl)-2H-pyrrol-5-one IUPAC Name: (2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one Traditional Name: (5S)-4-(benzofuran-2-carbonyl)-3-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-5-(3-pyridyl)-3-pyrrolin-2-one Formula: C25H26N3O5+ MolecularWeight: 448.49104

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CN=CC=C5

Isomeric SMILES

C1COCC[NH+]1CCCN2[C@H](C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CN=CC=C5

InChI

InChI=1S/C25H25N3O5/c29-23(20-15-17-5-1-2-7-19(17)33-20)21-22(18-6-3-8-26-16-18)28(25(31)24(21)30)10-4-9-27-11-13-32-14-12-27/h1-3,5-8,15-16,22,30H,4,9-14H2/p+1/t22-/m0/s1