(2R)-N-(3-azanyl-4-fluoranyl-phenyl)-2-(1H-imidazol-3-ium-3-yl)propanamide

Systemtic Name: (2R)-N-(3-azanyl-4-fluoranyl-phenyl)-2-(1H-imidazol-3-ium-3-yl)propanamide Openeye Name: (2R)-N-(3-amino-4-fluoro-phenyl)-2-(1H-imidazol-3-ium-3-yl)propanamide CAS Name: (2R)-N-(3-amino-4-fluorophenyl)-2-(1H-imidazol-3-ium-3-yl)propanamide IUPAC Name: (2R)-N-(3-amino-4-fluorophenyl)-2-(1H-imidazol-3-ium-3-yl)propanamide Traditional Name: (2R)-N-(3-amino-4-fluoro-phenyl)-2-(1H-imidazol-3-ium-3-yl)propionamide Formula: C12H14FN4O+ MolecularWeight: 249.264163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)N)[N+]2=CNC=C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)F)N)[N+]2=CNC=C2

InChI

InChI=1S/C12H13FN4O/c1-8(17-5-4-15-7-17)12(18)16-9-2-3-10(13)11(14)6-9/h2-8H,14H2,1H3,(H,16,18)/p+1/t8-/m1/s1