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

Systemtic Name: (2S)-3-(1-benzofuran-2-ylcarbonyl)-2-(3-ethoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4-oxidanyl-2H-pyrrol-5-one Openeye Name: (2S)-3-(benzofuran-2-carbonyl)-2-(3-ethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one CAS Name: (2S)-3-[2-benzofuranyl(oxo)methyl]-2-(3-ethoxyphenyl)-4-hydroxy-1-[2-(4-morpholin-4-iumyl)ethyl]-2H-pyrrol-5-one IUPAC Name: (2S)-3-(1-benzofuran-2-carbonyl)-2-(3-ethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one Traditional Name: (5S)-4-(benzofuran-2-carbonyl)-3-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-5-m-phenetyl-3-pyrrolin-2-one Formula: C27H29N2O6+ MolecularWeight: 477.52896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CC[NH+]3CCOCC3)O)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CCOC1=CC=CC(=C1)[C@H]2C(=C(C(=O)N2CC[NH+]3CCOCC3)O)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C27H28N2O6/c1-2-34-20-8-5-7-19(16-20)24-23(25(30)22-17-18-6-3-4-9-21(18)35-22)26(31)27(32)29(24)11-10-28-12-14-33-15-13-28/h3-9,16-17,24,31H,2,10-15H2,1H3/p+1/t24-/m0/s1