(2S)-N-(5-azanyl-2-fluoranyl-phenyl)-2-thiomorpholin-4-ium-4-yl-propanamide

Systemtic Name: (2S)-N-(5-azanyl-2-fluoranyl-phenyl)-2-thiomorpholin-4-ium-4-yl-propanamide Openeye Name: (2S)-N-(5-amino-2-fluoro-phenyl)-2-thiomorpholin-4-ium-4-yl-propanamide CAS Name: (2S)-N-(5-amino-2-fluorophenyl)-2-(4-thiomorpholin-4-iumyl)propanamide IUPAC Name: (2S)-N-(5-amino-2-fluorophenyl)-2-thiomorpholin-4-ium-4-ylpropanamide Traditional Name: (2S)-N-(5-amino-2-fluoro-phenyl)-2-thiomorpholin-4-ium-4-yl-propionamide Formula: C13H19FN3OS+ MolecularWeight: 284.372863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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