[(1R)-2-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[[2-(4-bromo-2-fluoro-phenoxy)acetyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[2-(4-bromo-2-fluorophenoxy)-1-oxoethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1R)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1R)-2-[[2-(4-bromo-2-fluoro-phenoxy)acetyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C16H19BrFN2O2S+ MolecularWeight: 402.301663

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)COC1=C(C=C(C=C1)Br)F)C2=CSC=C2

Isomeric SMILES

C[NH+](C)[C@@H](CNC(=O)COC1=C(C=C(C=C1)Br)F)C2=CSC=C2

InChI

InChI=1S/C16H18BrFN2O2S/c1-20(2)14(11-5-6-23-10-11)8-19-16(21)9-22-15-4-3-12(17)7-13(15)18/h3-7,10,14H,8-9H2,1-2H3,(H,19,21)/p+1/t14-/m0/s1