(2S)-3,3-dimethyl-2-oxidanyl-butanoate; [(1S)-1-phenylethyl]azanium

Systemtic Name: (2S)-3,3-dimethyl-2-oxidanyl-butanoate; [(1S)-1-phenylethyl]azanium Openeye Name: (2S)-2-hydroxy-3,3-dimethyl-butanoate; [(1S)-1-phenylethyl]ammonium CAS Name: (2S)-2-hydroxy-3,3-dimethylbutanoate; [(1S)-1-phenylethyl]ammonium IUPAC Name: (2S)-2-hydroxy-3,3-dimethylbutanoate; [(1S)-1-phenylethyl]azanium Traditional Name: (2S)-2-hydroxy-3,3-dimethyl-butyrate; [(1S)-1-phenylethyl]ammonium Formula: C14H23NO3 MolecularWeight: 253.33732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11N.C6H12O3/c1-7(9)8-5-3-2-4-6-8;1-6(2,3)4(7)5(8)9/h2-7H,9H2,1H3;4,7H,1-3H3,(H,8,9)/t7-;4-/m01/s1