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

Systemtic Name: [5-bromanyl-2-[(2S)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]methylazanium Openeye Name: [5-bromo-2-[(1S)-2-(cyclopropylamino)-1-methyl-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [5-bromo-2-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxyphenyl]methylammonium IUPAC Name: [5-bromo-2-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxyphenyl]methylazanium Traditional Name: [5-bromo-2-[(1S)-2-(cyclopropylamino)-2-keto-1-methyl-ethoxy]benzyl]ammonium Formula: C13H18BrN2O2+ MolecularWeight: 314.19822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC2=C(C=C(C=C2)Br)C[NH3+]

Isomeric SMILES

C[C@@H](C(=O)NC1CC1)OC2=C(C=C(C=C2)Br)C[NH3+]

InChI

InChI=1S/C13H17BrN2O2/c1-8(13(17)16-11-3-4-11)18-12-5-2-10(14)6-9(12)7-15/h2,5-6,8,11H,3-4,7,15H2,1H3,(H,16,17)/p+1/t8-/m0/s1