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

Systemtic Name: (2S)-3-(1-benzofuran-2-ylcarbonyl)-2-(4-butoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-2H-pyrrol-5-one Openeye Name: (2S)-3-(benzofuran-2-carbonyl)-2-(4-butoxyphenyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one CAS Name: (2S)-3-[2-benzofuranyl(oxo)methyl]-2-(4-butoxyphenyl)-4-hydroxy-1-[3-(4-morpholin-4-iumyl)propyl]-2H-pyrrol-5-one IUPAC Name: (2S)-3-(1-benzofuran-2-carbonyl)-2-(4-butoxyphenyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one Traditional Name: (5S)-4-(benzofuran-2-carbonyl)-5-(4-butoxyphenyl)-3-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-3-pyrrolin-2-one Formula: C30H35N2O6+ MolecularWeight: 519.6087

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)O)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@H]2C(=C(C(=O)N2CCC[NH+]3CCOCC3)O)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C30H34N2O6/c1-2-3-17-37-23-11-9-21(10-12-23)27-26(28(33)25-20-22-7-4-5-8-24(22)38-25)29(34)30(35)32(27)14-6-13-31-15-18-36-19-16-31/h4-5,7-12,20,27,34H,2-3,6,13-19H2,1H3/p+1/t27-/m0/s1