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

Systemtic Name: (3S)-3-morpholin-4-ium-4-yl-4-oxidanylidene-4-phenethyloxy-butanoate Openeye Name: (3S)-3-morpholin-4-ium-4-yl-4-oxo-4-phenethyloxy-butanoate CAS Name: (3S)-3-(4-morpholin-4-iumyl)-4-oxo-4-phenethyloxybutanoate IUPAC Name: (3S)-3-morpholin-4-ium-4-yl-4-oxo-4-phenethyloxybutanoate Traditional Name: (3S)-4-keto-3-morpholin-4-ium-4-yl-4-phenethyloxy-butyrate Formula: C16H21NO5 MolecularWeight: 307.34164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CC(=O)[O-])C(=O)OCCC2=CC=CC=C2

Isomeric SMILES

C1COCC[NH+]1[C@@H](CC(=O)[O-])C(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C16H21NO5/c18-15(19)12-14(17-7-10-21-11-8-17)16(20)22-9-6-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,18,19)/t14-/m0/s1