2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(o-tolyl)acetamide CAS Name: 2-[4-[(3-fluorophenyl)methyl]-1-piperazin-1-iumyl]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[4-(3-fluorobenzyl)piperazin-1-ium-1-yl]-N-(o-tolyl)acetamide Formula: C20H25FN3O+ MolecularWeight: 342.430403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C20H24FN3O/c1-16-5-2-3-8-19(16)22-20(25)15-24-11-9-23(10-12-24)14-17-6-4-7-18(21)13-17/h2-8,13H,9-12,14-15H2,1H3,(H,22,25)/p+1