(2S,3R)-2-(methylazaniumyl)-3-phenylmethoxy-butanoate

Systemtic Name: (2S,3R)-2-(methylazaniumyl)-3-phenylmethoxy-butanoate Openeye Name: (2S,3R)-3-benzyloxy-2-(methylammonio)butanoate CAS Name: (2S,3R)-2-(methylammonio)-3-phenylmethoxybutanoate IUPAC Name: (2S,3R)-2-(methylazaniumyl)-3-phenylmethoxybutanoate Traditional Name: (2S,3R)-3-benzoxy-2-(methylammonio)butyrate Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[O-])[NH2+]C)OCC1=CC=CC=C1

Isomeric SMILES

C[C@H]([C@@H](C(=O)[O-])[NH2+]C)OCC1=CC=CC=C1

InChI

InChI=1S/C12H17NO3/c1-9(11(13-2)12(14)15)16-8-10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3,(H,14,15)/t9-,11+/m1/s1