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

Systemtic Name: (2-bromanyl-4-fluoranyl-phenyl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (2-bromo-4-fluoro-phenyl)-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2-bromo-4-fluorophenyl)-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (2-bromo-4-fluorophenyl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (2-bromo-4-fluoro-phenyl)-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Formula: C20H21BrFN2O2+ MolecularWeight: 420.295343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrFN2O2/c21-18-12-16(22)2-3-17(18)20(25)24-8-6-23(7-9-24)13-14-1-4-19-15(11-14)5-10-26-19/h1-4,11-12H,5-10,13H2/p+1