2-[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]ethyl-dimethyl-ammonium Formula: C16H26BrN2O2+ MolecularWeight: 358.29384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NCC[NH+](C)C)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NCC[NH+](C)C)Br

InChI

InChI=1S/C16H25BrN2O2/c1-16(2,3)12-6-7-14(13(17)10-12)21-11-15(20)18-8-9-19(4)5/h6-7,10H,8-9,11H2,1-5H3,(H,18,20)/p+1