[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-tert-butyl-azanium

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-tert-butyl-azanium Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl]-tert-butyl-ammonium CAS Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-tert-butylammonium IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-tert-butylazanium Traditional Name: [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl]-tert-butyl-ammonium Formula: C12H17BrFN2O+ MolecularWeight: 304.178583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CC(=O)NC1=C(C=C(C=C1)Br)F

Isomeric SMILES

CC(C)(C)[NH2+]CC(=O)NC1=C(C=C(C=C1)Br)F

InChI

InChI=1S/C12H16BrFN2O/c1-12(2,3)15-7-11(17)16-10-5-4-8(13)6-9(10)14/h4-6,15H,7H2,1-3H3,(H,16,17)/p+1