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

Systemtic Name: (2S)-3-(1-benzofuran-2-ylcarbonyl)-2-(4-methylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-2H-pyrrol-5-one Openeye Name: (2S)-3-(benzofuran-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2-(p-tolyl)-2H-pyrrol-5-one CAS Name: (2S)-3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-2-(4-methylphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-2H-pyrrol-5-one IUPAC Name: (2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one Traditional Name: (5S)-4-(benzofuran-2-carbonyl)-3-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-5-(p-tolyl)-3-pyrrolin-2-one Formula: C27H29N2O5+ MolecularWeight: 461.52956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)O)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2C(=C(C(=O)N2CCC[NH+]3CCOCC3)O)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C27H28N2O5/c1-18-7-9-19(10-8-18)24-23(25(30)22-17-20-5-2-3-6-21(20)34-22)26(31)27(32)29(24)12-4-11-28-13-15-33-16-14-28/h2-3,5-10,17,24,31H,4,11-16H2,1H3/p+1/t24-/m0/s1