[2-(2-azanyl-2-oxidanylidene-ethoxy)-5-bromanyl-phenyl]methyl-tert-butyl-azanium

Systemtic Name: [2-(2-azanyl-2-oxidanylidene-ethoxy)-5-bromanyl-phenyl]methyl-tert-butyl-azanium Openeye Name: [2-(2-amino-2-oxo-ethoxy)-5-bromo-phenyl]methyl-tert-butyl-ammonium CAS Name: [2-(2-amino-2-oxoethoxy)-5-bromophenyl]methyl-tert-butylammonium IUPAC Name: [2-(2-amino-2-oxoethoxy)-5-bromophenyl]methyl-tert-butylazanium Traditional Name: [2-(2-amino-2-keto-ethoxy)-5-bromo-benzyl]-tert-butyl-ammonium Formula: C13H20BrN2O2+ MolecularWeight: 316.2141

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CC1=C(C=CC(=C1)Br)OCC(=O)N

Isomeric SMILES

CC(C)(C)[NH2+]CC1=C(C=CC(=C1)Br)OCC(=O)N

InChI

InChI=1S/C13H19BrN2O2/c1-13(2,3)16-7-9-6-10(14)4-5-11(9)18-8-12(15)17/h4-6,16H,7-8H2,1-3H3,(H2,15,17)/p+1