[5-bromanyl-2-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]phenyl]methylazanium

Systemtic Name: [5-bromanyl-2-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]phenyl]methylazanium Openeye Name: [5-bromo-2-[2-(tert-butylamino)-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [5-bromo-2-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylammonium IUPAC Name: [5-bromo-2-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylazanium Traditional Name: [5-bromo-2-[2-(tert-butylamino)-2-keto-ethoxy]benzyl]ammonium Formula: C13H20BrN2O2+ MolecularWeight: 316.2141

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC1=C(C=C(C=C1)Br)C[NH3+]

Isomeric SMILES

CC(C)(C)NC(=O)COC1=C(C=C(C=C1)Br)C[NH3+]

InChI

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