2-(4-bromanyl-2-tert-butyl-6-methyl-phenoxy)ethylazanium

Systemtic Name: 2-(4-bromanyl-2-tert-butyl-6-methyl-phenoxy)ethylazanium Openeye Name: 2-(4-bromo-2-tert-butyl-6-methyl-phenoxy)ethylammonium CAS Name: 2-(4-bromo-2-tert-butyl-6-methylphenoxy)ethylammonium IUPAC Name: 2-(4-bromo-2-tert-butyl-6-methylphenoxy)ethylazanium Traditional Name: 2-(4-bromo-2-tert-butyl-6-methyl-phenoxy)ethylammonium Formula: C13H21BrNO+ MolecularWeight: 287.21594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC[NH3+])C(C)(C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC[NH3+])C(C)(C)C)Br

InChI

InChI=1S/C13H20BrNO/c1-9-7-10(14)8-11(13(2,3)4)12(9)16-6-5-15/h7-8H,5-6,15H2,1-4H3/p+1