[5-bromanyl-2-[(2S)-1-oxidanylidene-1-(pentan-3-ylamino)propan-2-yl]oxy-phenyl]methylazanium

Systemtic Name: [5-bromanyl-2-[(2S)-1-oxidanylidene-1-(pentan-3-ylamino)propan-2-yl]oxy-phenyl]methylazanium Openeye Name: [5-bromo-2-[(1S)-2-(1-ethylpropylamino)-1-methyl-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [5-bromo-2-[(2S)-1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxyphenyl]methylammonium IUPAC Name: [5-bromo-2-[(2S)-1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxyphenyl]methylazanium Traditional Name: [5-bromo-2-[(1S)-2-(1-ethylpropylamino)-2-keto-1-methyl-ethoxy]benzyl]ammonium Formula: C15H24BrN2O2+ MolecularWeight: 344.26726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23BrN2O2/c1-4-13(5-2)18-15(19)10(3)20-14-7-6-12(16)8-11(14)9-17/h6-8,10,13H,4-5,9,17H2,1-3H3,(H,18,19)/p+1/t10-/m0/s1