[2-[[2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [2-[[2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [2-[[[2-(2-bromo-4-fluoro-phenoxy)acetyl]amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [2-[[[2-(2-bromo-4-fluorophenoxy)-1-oxoethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [2-[[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [2-[[[2-(2-bromo-4-fluoro-phenoxy)acetyl]amino]methyl]benzyl]-diethyl-ammonium Formula: C20H25BrFN2O2+ MolecularWeight: 424.327103

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)COC2=C(C=C(C=C2)F)Br

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)COC2=C(C=C(C=C2)F)Br

InChI

InChI=1S/C20H24BrFN2O2/c1-3-24(4-2)13-16-8-6-5-7-15(16)12-23-20(25)14-26-19-10-9-17(22)11-18(19)21/h5-11H,3-4,12-14H2,1-2H3,(H,23,25)/p+1