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

Systemtic Name: 2-(2-chloranyl-4-fluoranyl-phenoxy)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(2-chloro-4-fluoro-phenoxy)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(2-chloro-4-fluorophenoxy)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(2-chloro-4-fluorophenoxy)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(2-chloro-4-fluoro-phenoxy)-1-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C21H23ClFN2O3+ MolecularWeight: 405.870323

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)COC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)COC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C21H22ClFN2O3/c22-18-12-17(23)2-4-20(18)28-14-21(26)25-8-6-24(7-9-25)13-15-1-3-19-16(11-15)5-10-27-19/h1-4,11-12H,5-10,13-14H2/p+1