(3S)-3-morpholin-4-ium-4-yl-4-oxidanylidene-4-phenylmethoxy-butanoate

Systemtic Name: (3S)-3-morpholin-4-ium-4-yl-4-oxidanylidene-4-phenylmethoxy-butanoate Openeye Name: (3S)-4-benzyloxy-3-morpholin-4-ium-4-yl-4-oxo-butanoate CAS Name: (3S)-3-(4-morpholin-4-iumyl)-4-oxo-4-phenylmethoxybutanoate IUPAC Name: (3S)-3-morpholin-4-ium-4-yl-4-oxo-4-phenylmethoxybutanoate Traditional Name: (3S)-4-benzoxy-4-keto-3-morpholin-4-ium-4-yl-butyrate Formula: C15H19NO5 MolecularWeight: 293.31506

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CC(=O)[O-])C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1COCC[NH+]1[C@@H](CC(=O)[O-])C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C15H19NO5/c17-14(18)10-13(16-6-8-20-9-7-16)15(19)21-11-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,17,18)/t13-/m0/s1