(2S)-3-ethanoyl-2-(3-methoxy-4-oxidanyl-phenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-2H-pyrrol-5-one

Systemtic Name: (2S)-3-ethanoyl-2-(3-methoxy-4-oxidanyl-phenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-2H-pyrrol-5-one Openeye Name: (2S)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one CAS Name: (2S)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-2H-pyrrol-5-one IUPAC Name: (2S)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one Traditional Name: (5S)-4-acetyl-3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-3-pyrrolin-2-one Formula: C20H27N2O6+ MolecularWeight: 391.43818

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC(=C(C=C2)O)OC)CCC[NH+]3CCOCC3)O

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@H]1C2=CC(=C(C=C2)O)OC)CCC[NH+]3CCOCC3)O

InChI

InChI=1S/C20H26N2O6/c1-13(23)17-18(14-4-5-15(24)16(12-14)27-2)22(20(26)19(17)25)7-3-6-21-8-10-28-11-9-21/h4-5,12,18,24-25H,3,6-11H2,1-2H3/p+1/t18-/m0/s1