2-[4-[(3-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methoxyphenyl)ethanamide

Systemtic Name: 2-[4-[(3-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methoxyphenyl)ethanamide Openeye Name: 2-[4-[(3-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methoxyphenyl)acetamide CAS Name: 2-[4-[(3-fluorophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(2-methoxyphenyl)acetamide IUPAC Name: 2-[4-[(3-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methoxyphenyl)acetamide Traditional Name: 2-[4-(3-fluorobenzyl)piperazine-1,4-diium-1-yl]-N-(2-methoxyphenyl)acetamide Formula: C20H26FN3O2+2 MolecularWeight: 359.437743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C20H24FN3O2/c1-26-19-8-3-2-7-18(19)22-20(25)15-24-11-9-23(10-12-24)14-16-5-4-6-17(21)13-16/h2-8,13H,9-12,14-15H2,1H3,(H,22,25)/p+2