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

Systemtic Name: (2S)-3-(1-benzofuran-2-ylcarbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one Openeye Name: (2S)-3-(benzofuran-2-carbonyl)-4-hydroxy-2-(4-isopropylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one CAS Name: (2S)-3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-1-[3-(4-morpholin-4-iumyl)propyl]-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one IUPAC Name: (2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one Traditional Name: (5S)-4-(benzofuran-2-carbonyl)-3-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-5-p-cumenyl-3-pyrrolin-2-one Formula: C29H33N2O5+ MolecularWeight: 489.58272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N2O5/c1-19(2)20-8-10-21(11-9-20)26-25(27(32)24-18-22-6-3-4-7-23(22)36-24)28(33)29(34)31(26)13-5-12-30-14-16-35-17-15-30/h3-4,6-11,18-19,26,33H,5,12-17H2,1-2H3/p+1/t26-/m0/s1