4-methylbenzenesulfonate; [(2S)-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl]azanium

Systemtic Name: 4-methylbenzenesulfonate; [(2S)-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl]azanium Openeye Name: [(1S)-1-benzyloxycarbonyl-2-methyl-propyl]ammonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; [(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]ammonium IUPAC Name: 4-methylbenzenesulfonate; [(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]azanium Traditional Name: [(1S)-1-carbobenzoxy-2-methyl-propyl]ammonium tosylate Formula: C19H25NO5S MolecularWeight: 379.4705

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)C(C(=O)OCC1=CC=CC=C1)[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)[C@@H](C(=O)OCC1=CC=CC=C1)[NH3+]

InChI

InChI=1S/C12H17NO2.C7H8O3S/c1-9(2)11(13)12(14)15-8-10-6-4-3-5-7-10;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,9,11H,8,13H2,1-2H3;2-5H,1H3,(H,8,9,10)/t11-;/m0./s1