N-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzofuran-2-carboxamide CAS Name: N-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-2-benzofurancarboxamide IUPAC Name: N-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]coumarilamide Formula: C20H21FN3O2+ MolecularWeight: 354.398043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CNC(=O)C2=CC3=CC=CC=C3O2)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CNC(=O)C2=CC3=CC=CC=C3O2)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H20FN3O2/c21-16-5-7-17(8-6-16)24-11-9-23(10-12-24)14-22-20(25)19-13-15-3-1-2-4-18(15)26-19/h1-8,13H,9-12,14H2,(H,22,25)/p+1