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

Systemtic Name: (2S)-3-(1-benzofuran-2-ylcarbonyl)-2-(4-ethoxy-3-methoxy-phenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4-oxidanyl-2H-pyrrol-5-one Openeye Name: (2S)-3-(benzofuran-2-carbonyl)-2-(4-ethoxy-3-methoxy-phenyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one CAS Name: (2S)-3-[2-benzofuranyl(oxo)methyl]-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-1-[2-(4-morpholin-4-iumyl)ethyl]-2H-pyrrol-5-one IUPAC Name: (2S)-3-(1-benzofuran-2-carbonyl)-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2H-pyrrol-5-one Traditional Name: (5S)-4-(benzofuran-2-carbonyl)-5-(4-ethoxy-3-methoxy-phenyl)-3-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-3-pyrrolin-2-one Formula: C28H31N2O7+ MolecularWeight: 507.55494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O7/c1-3-36-21-9-8-19(17-22(21)34-2)25-24(26(31)23-16-18-6-4-5-7-20(18)37-23)27(32)28(33)30(25)11-10-29-12-14-35-15-13-29/h4-9,16-17,25,32H,3,10-15H2,1-2H3/p+1/t25-/m0/s1