methyl-[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]azanium; (2R)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: methyl-[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]azanium; (2R)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-ammonium; (2R)-2-hydroxy-2-phenyl-acetate CAS Name: (2R)-2-hydroxy-2-phenylacetate; [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylammonium IUPAC Name: (2R)-2-hydroxy-2-phenylacetate; [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium Traditional Name: [(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-ammonium; (2R)-2-hydroxy-2-phenyl-acetate Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15NO.C8H8O3/c1-8(11-2)10(12)9-6-4-3-5-7-9;9-7(8(10)11)6-4-2-1-3-5-6/h3-8,10-12H,1-2H3;1-5,7,9H,(H,10,11)/t8-,10-;7-/m01/s1