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

Systemtic Name: (2S)-2-(2,5-dimethoxyphenyl)-3-ethanoyl-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-2H-pyrrol-5-one Openeye Name: (2S)-3-acetyl-2-(2,5-dimethoxyphenyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one CAS Name: (2S)-3-acetyl-2-(2,5-dimethoxyphenyl)-4-hydroxy-1-[3-(4-morpholin-4-iumyl)propyl]-2H-pyrrol-5-one IUPAC Name: (2S)-3-acetyl-2-(2,5-dimethoxyphenyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one Traditional Name: (5S)-4-acetyl-5-(2,5-dimethoxyphenyl)-3-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-3-pyrrolin-2-one Formula: C21H29N2O6+ MolecularWeight: 405.46476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O6/c1-14(24)18-19(16-13-15(27-2)5-6-17(16)28-3)23(21(26)20(18)25)8-4-7-22-9-11-29-12-10-22/h5-6,13,19,25H,4,7-12H2,1-3H3/p+1/t19-/m0/s1