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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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