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

Systemtic Name: (2S)-3-(1-benzofuran-2-ylcarbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-4-oxidanyl-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one Openeye Name: (2S)-3-(benzofuran-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one CAS Name: (2S)-3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-1-[2-(4-morpholin-4-iumyl)ethyl]-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one IUPAC Name: (2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one Traditional Name: (5S)-4-(benzofuran-2-carbonyl)-3-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-5-(3,4,5-trimethoxyphenyl)-3-pyrrolin-2-one Formula: C28H31N2O8+ MolecularWeight: 523.55434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C(=C(C(=O)N2CC[NH+]3CCOCC3)O)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@H]2C(=C(C(=O)N2CC[NH+]3CCOCC3)O)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C28H30N2O8/c1-34-21-15-18(16-22(35-2)27(21)36-3)24-23(25(31)20-14-17-6-4-5-7-19(17)38-20)26(32)28(33)30(24)9-8-29-10-12-37-13-11-29/h4-7,14-16,24,32H,8-13H2,1-3H3/p+1/t24-/m0/s1