2-[(1R)-2-(3-morpholin-4-ium-4-ylpropyl)-1-oxidanyl-3-oxidanylidene-isoindol-1-yl]ethanoate

Systemtic Name: 2-[(1R)-2-(3-morpholin-4-ium-4-ylpropyl)-1-oxidanyl-3-oxidanylidene-isoindol-1-yl]ethanoate Openeye Name: 2-[(1R)-1-hydroxy-2-(3-morpholin-4-ium-4-ylpropyl)-3-oxo-isoindolin-1-yl]acetate CAS Name: 2-[(1R)-1-hydroxy-2-[3-(4-morpholin-4-iumyl)propyl]-3-oxo-1-isoindolyl]acetate IUPAC Name: 2-[(1R)-1-hydroxy-2-(3-morpholin-4-ium-4-ylpropyl)-3-oxoisoindol-1-yl]acetate Traditional Name: 2-[(1R)-1-hydroxy-3-keto-2-(3-morpholin-4-ium-4-ylpropyl)isoindolin-1-yl]acetate Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3C2(CC(=O)[O-])O

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3[C@@]2(CC(=O)[O-])O

InChI

InChI=1S/C17H22N2O5/c20-15(21)12-17(23)14-5-2-1-4-13(14)16(22)19(17)7-3-6-18-8-10-24-11-9-18/h1-2,4-5,23H,3,6-12H2,(H,20,21)/t17-/m1/s1