(2R)-2-morpholin-4-ium-4-yl-4-oxidanylidene-4-phenyl-butanoate

Systemtic Name: (2R)-2-morpholin-4-ium-4-yl-4-oxidanylidene-4-phenyl-butanoate Openeye Name: (2R)-2-morpholin-4-ium-4-yl-4-oxo-4-phenyl-butanoate CAS Name: (2R)-2-(4-morpholin-4-iumyl)-4-oxo-4-phenylbutanoate IUPAC Name: (2R)-2-morpholin-4-ium-4-yl-4-oxo-4-phenylbutanoate Traditional Name: (2R)-4-keto-2-morpholin-4-ium-4-yl-4-phenyl-butyrate Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CC(=O)C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1[C@H](CC(=O)C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C14H17NO4/c16-13(11-4-2-1-3-5-11)10-12(14(17)18)15-6-8-19-9-7-15/h1-5,12H,6-10H2,(H,17,18)/t12-/m1/s1