(3S)-3-morpholin-4-ium-4-yl-4-oxidanylidene-4-(2-phenoxyethoxy)butanoate

Systemtic Name: (3S)-3-morpholin-4-ium-4-yl-4-oxidanylidene-4-(2-phenoxyethoxy)butanoate Openeye Name: (3S)-3-morpholin-4-ium-4-yl-4-oxo-4-(2-phenoxyethoxy)butanoate CAS Name: (3S)-3-(4-morpholin-4-iumyl)-4-oxo-4-(2-phenoxyethoxy)butanoate IUPAC Name: (3S)-3-morpholin-4-ium-4-yl-4-oxo-4-(2-phenoxyethoxy)butanoate Traditional Name: (3S)-4-keto-3-morpholin-4-ium-4-yl-4-(2-phenoxyethoxy)butyrate Formula: C16H21NO6 MolecularWeight: 323.34104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CC(=O)[O-])C(=O)OCCOC2=CC=CC=C2

Isomeric SMILES

C1COCC[NH+]1[C@@H](CC(=O)[O-])C(=O)OCCOC2=CC=CC=C2

InChI

InChI=1S/C16H21NO6/c18-15(19)12-14(17-6-8-21-9-7-17)16(20)23-11-10-22-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,18,19)/t14-/m0/s1