2-(4-bromanyl-2-tert-butyl-phenoxy)ethyl-methyl-azanium

Systemtic Name: 2-(4-bromanyl-2-tert-butyl-phenoxy)ethyl-methyl-azanium Openeye Name: 2-(4-bromo-2-tert-butyl-phenoxy)ethyl-methyl-ammonium CAS Name: 2-(4-bromo-2-tert-butylphenoxy)ethyl-methylammonium IUPAC Name: 2-(4-bromo-2-tert-butylphenoxy)ethyl-methylazanium Traditional Name: 2-(4-bromo-2-tert-butyl-phenoxy)ethyl-methyl-ammonium Formula: C13H21BrNO+ MolecularWeight: 287.21594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Br)OCC[NH2+]C

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Br)OCC[NH2+]C

InChI

InChI=1S/C13H20BrNO/c1-13(2,3)11-9-10(14)5-6-12(11)16-8-7-15-4/h5-6,9,15H,7-8H2,1-4H3/p+1