1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-(3-fluoranyl-4-methoxy-phenyl)ethanone

Systemtic Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-(3-fluoranyl-4-methoxy-phenyl)ethanone Openeye Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-(3-fluoro-4-methoxy-phenyl)ethanone CAS Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-2-(3-fluoro-4-methoxyphenyl)ethanone IUPAC Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone Traditional Name: 1-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-2-(3-fluoro-4-methoxy-phenyl)ethanone Formula: C22H26FN2O3+ MolecularWeight: 385.451843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)F

InChI

InChI=1S/C22H25FN2O3/c1-27-21-5-2-16(13-19(21)23)14-22(26)25-9-7-24(8-10-25)15-17-3-4-20-18(12-17)6-11-28-20/h2-5,12-13H,6-11,14-15H2,1H3/p+1