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

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yl)-3-ethanoyl-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-2H-pyrrol-5-one Openeye Name: (2S)-3-acetyl-2-(1,3-benzodioxol-5-yl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one CAS Name: (2S)-3-acetyl-2-(1,3-benzodioxol-5-yl)-4-hydroxy-1-[3-(4-morpholin-4-iumyl)propyl]-2H-pyrrol-5-one IUPAC Name: (2S)-3-acetyl-2-(1,3-benzodioxol-5-yl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one Traditional Name: (5S)-4-acetyl-5-(1,3-benzodioxol-5-yl)-3-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-3-pyrrolin-2-one Formula: C20H25N2O6+ MolecularWeight: 389.4223

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC3=C(C=C2)OCO3)CCC[NH+]4CCOCC4)O

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@H]1C2=CC3=C(C=C2)OCO3)CCC[NH+]4CCOCC4)O

InChI

InChI=1S/C20H24N2O6/c1-13(23)17-18(14-3-4-15-16(11-14)28-12-27-15)22(20(25)19(17)24)6-2-5-21-7-9-26-10-8-21/h3-4,11,18,24H,2,5-10,12H2,1H3/p+1/t18-/m0/s1