[(2S)-2-bromanyl-1-(tert-butylamino)-3,3-dimethyl-butylidene]-methyl-azanium; (2S)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(2S)-2-bromanyl-1-(tert-butylamino)-3,3-dimethyl-butylidene]-methyl-azanium; (2S)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(2S)-2-bromo-1-(tert-butylamino)-3,3-dimethyl-butylidene]-methyl-ammonium; (2S)-2-hydroxy-2-phenyl-acetate CAS Name: [(2S)-2-bromo-1-(tert-butylamino)-3,3-dimethylbutylidene]-methylammonium; (2S)-2-hydroxy-2-phenylacetate IUPAC Name: [(2S)-2-bromo-1-(tert-butylamino)-3,3-dimethylbutylidene]-methylazanium; (2S)-2-hydroxy-2-phenylacetate Traditional Name: [(2S)-2-bromo-1-(tert-butylamino)-3,3-dimethyl-butylidene]-methyl-ammonium; (2S)-2-hydroxy-2-phenyl-acetate Formula: C19H31BrN2O3 MolecularWeight: 415.36504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=[NH+]C)NC(C)(C)C)Br.C1=CC=C(C=C1)C(C(=O)[O-])O

Isomeric SMILES

CC(C)(C)[C@@H](C(=[NH+]C)NC(C)(C)C)Br.C1=CC=C(C=C1)[C@@H](C(=O)[O-])O

InChI

InChI=1S/C11H23BrN2.C8H8O3/c1-10(2,3)8(12)9(13-7)14-11(4,5)6;9-7(8(10)11)6-4-2-1-3-5-6/h8H,1-7H3,(H,13,14);1-5,7,9H,(H,10,11)/t8-;7-/m10/s1