N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2-fluoranyl-benzamide

Systemtic Name: N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2-fluoranyl-benzamide Openeye Name: N-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-2-fluoro-benzamide CAS Name: N-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-2-fluorobenzamide IUPAC Name: N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-2-fluorobenzamide Traditional Name: N-[2-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-2-fluoro-benzamide Formula: C22H25FN3O3+ MolecularWeight: 398.450603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CNC(=O)C4=CC=CC=C4F

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CNC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C22H24FN3O3/c23-19-4-2-1-3-18(19)22(28)24-14-21(27)26-10-8-25(9-11-26)15-16-5-6-20-17(13-16)7-12-29-20/h1-6,13H,7-12,14-15H2,(H,24,28)/p+1