2-(2-bromanyl-4-fluoranyl-phenoxy)-1-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(2-bromanyl-4-fluoranyl-phenoxy)-1-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(2-bromo-4-fluoro-phenoxy)-1-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(2-bromo-4-fluorophenoxy)-1-[4-[[(2R)-2-oxolanyl]methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(2-bromo-4-fluorophenoxy)-1-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(2-bromo-4-fluoro-phenoxy)-1-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]ethanone Formula: C17H23BrFN2O3+ MolecularWeight: 402.278523

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C[NH+]2CCN(CC2)C(=O)COC3=C(C=C(C=C3)F)Br

Isomeric SMILES

C1C[C@@H](OC1)C[NH+]2CCN(CC2)C(=O)COC3=C(C=C(C=C3)F)Br

InChI

InChI=1S/C17H22BrFN2O3/c18-15-10-13(19)3-4-16(15)24-12-17(22)21-7-5-20(6-8-21)11-14-2-1-9-23-14/h3-4,10,14H,1-2,5-9,11-12H2/p+1/t14-/m1/s1