[(1S)-2-[2-(3-bromanylphenoxy)ethanoylamino]-1-(furan-2-yl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[2-(3-bromanylphenoxy)ethanoylamino]-1-(furan-2-yl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[2-(3-bromophenoxy)acetyl]amino]-1-(2-furyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[2-(3-bromophenoxy)-1-oxoethyl]amino]-1-(2-furanyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[2-(3-bromophenoxy)acetyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-[[2-(3-bromophenoxy)acetyl]amino]-1-(2-furyl)ethyl]-dimethyl-ammonium Formula: C16H20BrN2O3+ MolecularWeight: 368.2456

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)COC1=CC(=CC=C1)Br)C2=CC=CO2

Isomeric SMILES

C[NH+](C)[C@@H](CNC(=O)COC1=CC(=CC=C1)Br)C2=CC=CO2

InChI

InChI=1S/C16H19BrN2O3/c1-19(2)14(15-7-4-8-21-15)10-18-16(20)11-22-13-6-3-5-12(17)9-13/h3-9,14H,10-11H2,1-2H3,(H,18,20)/p+1/t14-/m0/s1