[(1S)-2-[2-(4-bromanylphenoxy)ethanoylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[2-(4-bromanylphenoxy)ethanoylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[2-(4-bromophenoxy)acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[2-(4-bromophenoxy)-1-oxoethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[2-(4-bromophenoxy)acetyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[2-(4-bromophenoxy)acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C18H22BrN2O2+ MolecularWeight: 378.28348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN2O2/c1-21(2)17(14-6-4-3-5-7-14)12-20-18(22)13-23-16-10-8-15(19)9-11-16/h3-11,17H,12-13H2,1-2H3,(H,20,22)/p+1/t17-/m1/s1