ethyl 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzofuran-2-carboxylate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]coumarilic acid ethyl ester Formula: C22H24FN2O3+ MolecularWeight: 383.435963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN2O3/c1-2-27-22(26)21-19(18-5-3-4-6-20(18)28-21)15-24-11-13-25(14-12-24)17-9-7-16(23)8-10-17/h3-10H,2,11-15H2,1H3/p+1