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

Systemtic Name: [5-bromanyl-2-[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]oxy-phenyl]methylazanium Openeye Name: [5-bromo-2-[(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [5-bromo-2-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]methylammonium IUPAC Name: [5-bromo-2-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]methylazanium Traditional Name: [5-bromo-2-[(1S)-2-(isopropylamino)-2-keto-1-methyl-ethoxy]benzyl]ammonium Formula: C13H20BrN2O2+ MolecularWeight: 316.2141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19BrN2O2/c1-8(2)16-13(17)9(3)18-12-5-4-11(14)6-10(12)7-15/h4-6,8-9H,7,15H2,1-3H3,(H,16,17)/p+1/t9-/m0/s1