[(2S)-3-(2-bromanyl-4-chloranyl-phenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: [(2S)-3-(2-bromanyl-4-chloranyl-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-3-(2-bromo-4-chloro-phenoxy)-2-hydroxy-propyl]ammonium CAS Name: [(2S)-3-(2-bromo-4-chlorophenoxy)-2-hydroxypropyl]ammonium IUPAC Name: [(2S)-3-(2-bromo-4-chlorophenoxy)-2-hydroxypropyl]azanium Traditional Name: [(2S)-3-(2-bromo-4-chloro-phenoxy)-2-hydroxy-propyl]ammonium Formula: C9H12BrClNO2+ MolecularWeight: 281.55408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Br)OCC(C[NH3+])O

Isomeric SMILES

C1=CC(=C(C=C1Cl)Br)OC[C@H](C[NH3+])O

InChI

InChI=1S/C9H11BrClNO2/c10-8-3-6(11)1-2-9(8)14-5-7(13)4-12/h1-3,7,13H,4-5,12H2/p+1/t7-/m0/s1