N-(3-azanyl-4-fluoranyl-phenyl)-3-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-(3-azanyl-4-fluoranyl-phenyl)-3-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide Openeye Name: N-(3-amino-4-fluoro-phenyl)-3-(3-oxopiperazin-1-ium-1-yl)propanamide CAS Name: N-(3-amino-4-fluorophenyl)-3-(3-oxo-1-piperazin-1-iumyl)propanamide IUPAC Name: N-(3-amino-4-fluorophenyl)-3-(3-oxopiperazin-1-ium-1-yl)propanamide Traditional Name: N-(3-amino-4-fluoro-phenyl)-3-(3-ketopiperazin-1-ium-1-yl)propionamide Formula: C13H18FN4O2+ MolecularWeight: 281.306023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CCC(=O)NC2=CC(=C(C=C2)F)N

Isomeric SMILES

C1C[NH+](CC(=O)N1)CCC(=O)NC2=CC(=C(C=C2)F)N

InChI

InChI=1S/C13H17FN4O2/c14-10-2-1-9(7-11(10)15)17-12(19)3-5-18-6-4-16-13(20)8-18/h1-2,7H,3-6,8,15H2,(H,16,20)(H,17,19)/p+1