[(2S)-2-[[3-[(4-bromanylphenoxy)methyl]phenyl]carbonylamino]propyl]-diethyl-azanium

Systemtic Name: [(2S)-2-[[3-[(4-bromanylphenoxy)methyl]phenyl]carbonylamino]propyl]-diethyl-azanium Openeye Name: [(2S)-2-[[3-[(4-bromophenoxy)methyl]benzoyl]amino]propyl]-diethyl-ammonium CAS Name: [(2S)-2-[[[3-[(4-bromophenoxy)methyl]phenyl]-oxomethyl]amino]propyl]-diethylammonium IUPAC Name: [(2S)-2-[[3-[(4-bromophenoxy)methyl]benzoyl]amino]propyl]-diethylazanium Traditional Name: [(2S)-2-[[3-[(4-bromophenoxy)methyl]benzoyl]amino]propyl]-diethyl-ammonium Formula: C21H28BrN2O2+ MolecularWeight: 420.36322

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(C)NC(=O)C1=CC(=CC=C1)COC2=CC=C(C=C2)Br

Isomeric SMILES

CC[NH+](CC)C[C@H](C)NC(=O)C1=CC(=CC=C1)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C21H27BrN2O2/c1-4-24(5-2)14-16(3)23-21(25)18-8-6-7-17(13-18)15-26-20-11-9-19(22)10-12-20/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,25)/p+1/t16-/m0/s1