N-[(3-fluorophenyl)methyl]-2-piperazin-1-ium-1-yl-ethanamide

Systemtic Name: N-[(3-fluorophenyl)methyl]-2-piperazin-1-ium-1-yl-ethanamide Openeye Name: N-[(3-fluorophenyl)methyl]-2-piperazin-1-ium-1-yl-acetamide CAS Name: N-[(3-fluorophenyl)methyl]-2-(1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(3-fluorophenyl)methyl]-2-piperazin-1-ium-1-ylacetamide Traditional Name: N-(3-fluorobenzyl)-2-piperazin-1-ium-1-yl-acetamide Formula: C13H19FN3O+ MolecularWeight: 252.307863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN1)CC(=O)NCC2=CC(=CC=C2)F

Isomeric SMILES

C1C[NH+](CCN1)CC(=O)NCC2=CC(=CC=C2)F

InChI

InChI=1S/C13H18FN3O/c14-12-3-1-2-11(8-12)9-16-13(18)10-17-6-4-15-5-7-17/h1-3,8,15H,4-7,9-10H2,(H,16,18)/p+1