[(2R)-1-oxidanyl-3-phenyl-propan-2-yl]azanium; (2S)-2,3,3-trimethyl-2-oxidanyl-butanoate

Systemtic Name: [(2R)-1-oxidanyl-3-phenyl-propan-2-yl]azanium; (2S)-2,3,3-trimethyl-2-oxidanyl-butanoate Openeye Name: [(1R)-1-benzyl-2-hydroxy-ethyl]ammonium; (2S)-2-hydroxy-2,3,3-trimethyl-butanoate CAS Name: [(2R)-1-hydroxy-3-phenylpropan-2-yl]ammonium; (2S)-2-hydroxy-2,3,3-trimethylbutanoate IUPAC Name: [(2R)-1-hydroxy-3-phenylpropan-2-yl]azanium; (2S)-2-hydroxy-2,3,3-trimethylbutanoate Traditional Name: [(1R)-1-benzyl-2-hydroxy-ethyl]ammonium; (2S)-2-hydroxy-2,3,3-trimethyl-butyrate Formula: C16H27NO4 MolecularWeight: 297.38988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C)(C(=O)[O-])O.C1=CC=C(C=C1)CC(CO)[NH3+]

Isomeric SMILES

C[C@@](C(=O)[O-])(C(C)(C)C)O.C1=CC=C(C=C1)C[C@H](CO)[NH3+]

InChI

InChI=1S/C9H13NO.C7H14O3/c10-9(7-11)6-8-4-2-1-3-5-8;1-6(2,3)7(4,10)5(8)9/h1-5,9,11H,6-7,10H2;10H,1-4H3,(H,8,9)/t9-;7-/m11/s1