[(2S)-3-(4-bromanyl-2,6-dimethyl-phenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: [(2S)-3-(4-bromanyl-2,6-dimethyl-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-3-(4-bromo-2,6-dimethyl-phenoxy)-2-hydroxy-propyl]ammonium CAS Name: [(2S)-3-(4-bromo-2,6-dimethylphenoxy)-2-hydroxypropyl]ammonium IUPAC Name: [(2S)-3-(4-bromo-2,6-dimethylphenoxy)-2-hydroxypropyl]azanium Traditional Name: [(2S)-3-(4-bromo-2,6-dimethyl-phenoxy)-2-hydroxy-propyl]ammonium Formula: C11H17BrNO2+ MolecularWeight: 275.16218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(C[NH3+])O)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC[C@H](C[NH3+])O)C)Br

InChI

InChI=1S/C11H16BrNO2/c1-7-3-9(12)4-8(2)11(7)15-6-10(14)5-13/h3-4,10,14H,5-6,13H2,1-2H3/p+1/t10-/m0/s1