3-[[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]azaniumyl]propanoate

Systemtic Name: 3-[[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]azaniumyl]propanoate Openeye Name: 3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]ammonio]propanoate CAS Name: 3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]ammonio]propanoate IUPAC Name: 3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azaniumyl]propanoate Traditional Name: 3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]ammonio]propionate Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO3/c1-9(13-8-7-11(14)15)12(16)10-5-3-2-4-6-10/h2-6,9,12-13,16H,7-8H2,1H3,(H,14,15)/t9-,12-/m1/s1