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

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[4-(coumaran-5-ylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C21H24BrFN3O2+ MolecularWeight: 449.336563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrFN3O2/c22-17-2-3-19(18(23)12-17)24-21(27)14-26-8-6-25(7-9-26)13-15-1-4-20-16(11-15)5-10-28-20/h1-4,11-12H,5-10,13-14H2,(H,24,27)/p+1