2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-fluoranyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(3-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-fluoro-4-methyl-phenyl)acetamide Formula: C22H28FN3O2+2 MolecularWeight: 385.475023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)F

InChI

InChI=1S/C22H26FN3O2/c1-16-2-4-19(13-20(16)23)24-22(27)15-26-9-7-25(8-10-26)14-17-3-5-21-18(12-17)6-11-28-21/h2-5,12-13H,6-11,14-15H2,1H3,(H,24,27)/p+2