[(2R,3S)-3-(2-bromophenyl)-2-cyano-3-oxidanyl-propyl]-dimethyl-azanium

Systemtic Name: [(2R,3S)-3-(2-bromophenyl)-2-cyano-3-oxidanyl-propyl]-dimethyl-azanium Openeye Name: [(2R,3S)-3-(2-bromophenyl)-2-cyano-3-hydroxy-propyl]-dimethyl-ammonium CAS Name: [(2R,3S)-3-(2-bromophenyl)-2-cyano-3-hydroxypropyl]-dimethylammonium IUPAC Name: [(2R,3S)-3-(2-bromophenyl)-2-cyano-3-hydroxypropyl]-dimethylazanium Traditional Name: [(2R,3S)-3-(2-bromophenyl)-2-cyano-3-hydroxy-propyl]-dimethyl-ammonium Formula: C12H16BrN2O+ MolecularWeight: 284.17224

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C#N)C(C1=CC=CC=C1Br)O

Isomeric SMILES

C[NH+](C)C[C@H](C#N)[C@@H](C1=CC=CC=C1Br)O

InChI

InChI=1S/C12H15BrN2O/c1-15(2)8-9(7-14)12(16)10-5-3-4-6-11(10)13/h3-6,9,12,16H,8H2,1-2H3/p+1/t9-,12-/m0/s1