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

Systemtic Name: (3S)-3-morpholin-4-ium-4-yl-4-oxidanylidene-4-phenylazanyl-butanoate Openeye Name: (3S)-4-anilino-3-morpholin-4-ium-4-yl-4-oxo-butanoate CAS Name: (3S)-4-anilino-3-(4-morpholin-4-iumyl)-4-oxobutanoate IUPAC Name: (3S)-4-anilino-3-morpholin-4-ium-4-yl-4-oxobutanoate Traditional Name: (3S)-4-anilino-4-keto-3-morpholin-4-ium-4-yl-butyrate Formula: C14H18N2O4 MolecularWeight: 278.30372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CC(=O)[O-])C(=O)NC2=CC=CC=C2

Isomeric SMILES

C1COCC[NH+]1[C@@H](CC(=O)[O-])C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C14H18N2O4/c17-13(18)10-12(16-6-8-20-9-7-16)14(19)15-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,19)(H,17,18)/t12-/m0/s1