2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Formula: C21H25FN3O2+ MolecularWeight: 370.440503

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CC[NH+](CC3)CC(=O)NC4=CC(=CC=C4)F

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CC[NH+](CC3)CC(=O)NC4=CC(=CC=C4)F

InChI

InChI=1S/C21H24FN3O2/c22-18-2-1-3-19(13-18)23-21(26)15-25-9-7-24(8-10-25)14-16-4-5-20-17(12-16)6-11-27-20/h1-5,12-13H,6-11,14-15H2,(H,23,26)/p+1