[5-bromanyl-2-[(2S)-1-(methylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]methylazanium

Systemtic Name: [5-bromanyl-2-[(2S)-1-(methylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]methylazanium Openeye Name: [5-bromo-2-[(1S)-1-methyl-2-(methylamino)-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [5-bromo-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]oxyphenyl]methylammonium IUPAC Name: [5-bromo-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]oxyphenyl]methylazanium Traditional Name: [5-bromo-2-[(1S)-2-keto-1-methyl-2-(methylamino)ethoxy]benzyl]ammonium Formula: C11H16BrN2O2+ MolecularWeight: 288.16094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC)OC1=C(C=C(C=C1)Br)C[NH3+]

Isomeric SMILES

C[C@@H](C(=O)NC)OC1=C(C=C(C=C1)Br)C[NH3+]

InChI

InChI=1S/C11H15BrN2O2/c1-7(11(15)14-2)16-10-4-3-9(12)5-8(10)6-13/h3-5,7H,6,13H2,1-2H3,(H,14,15)/p+1/t7-/m0/s1