(2S)-N-(2-azanyl-4-fluoranyl-phenyl)-2-thiomorpholin-4-ium-4-yl-propanamide

Systemtic Name: (2S)-N-(2-azanyl-4-fluoranyl-phenyl)-2-thiomorpholin-4-ium-4-yl-propanamide Openeye Name: (2S)-N-(2-amino-4-fluoro-phenyl)-2-thiomorpholin-4-ium-4-yl-propanamide CAS Name: (2S)-N-(2-amino-4-fluorophenyl)-2-(4-thiomorpholin-4-iumyl)propanamide IUPAC Name: (2S)-N-(2-amino-4-fluorophenyl)-2-thiomorpholin-4-ium-4-ylpropanamide Traditional Name: (2S)-N-(2-amino-4-fluoro-phenyl)-2-thiomorpholin-4-ium-4-yl-propionamide Formula: C13H19FN3OS+ MolecularWeight: 284.372863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)F)N)[NH+]2CCSCC2

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)F)N)[NH+]2CCSCC2

InChI

InChI=1S/C13H18FN3OS/c1-9(17-4-6-19-7-5-17)13(18)16-12-3-2-10(14)8-11(12)15/h2-3,8-9H,4-7,15H2,1H3,(H,16,18)/p+1/t9-/m0/s1