2-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxoethyl]-1-piperazin-1-iumyl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Formula: C22H25FN3O4+ MolecularWeight: 414.450003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H24FN3O4/c23-17-2-4-18(5-3-17)24-21(27)15-25-7-9-26(10-8-25)22(28)14-16-1-6-19-20(13-16)30-12-11-29-19/h1-6,13H,7-12,14-15H2,(H,24,27)/p+1