2-[(2S)-6-acetamido-3,4-dihydro-2H-chromen-2-yl]ethanoate; [(2R)-1-oxidanylpropan-2-yl]azanium

Systemtic Name: 2-[(2S)-6-acetamido-3,4-dihydro-2H-chromen-2-yl]ethanoate; [(2R)-1-oxidanylpropan-2-yl]azanium Openeye Name: 2-[(2S)-6-acetamidochroman-2-yl]acetate; [(1R)-2-hydroxy-1-methyl-ethyl]ammonium CAS Name: 2-[(2S)-6-acetamido-3,4-dihydro-2H-1-benzopyran-2-yl]acetate; [(2R)-1-hydroxypropan-2-yl]ammonium IUPAC Name: 2-[(2S)-6-acetamido-3,4-dihydro-2H-chromen-2-yl]acetate; [(2R)-1-hydroxypropan-2-yl]azanium Traditional Name: 2-[(2S)-6-acetamidochroman-2-yl]acetate; [(1R)-2-hydroxy-1-methyl-ethyl]ammonium Formula: C16H24N2O5 MolecularWeight: 324.37216

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)[NH3+].CC(=O)NC1=CC2=C(C=C1)OC(CC2)CC(=O)[O-]

Isomeric SMILES

C[C@H](CO)[NH3+].CC(=O)NC1=CC2=C(C=C1)O[C@@H](CC2)CC(=O)[O-]

InChI

InChI=1S/C13H15NO4.C3H9NO/c1-8(15)14-10-3-5-12-9(6-10)2-4-11(18-12)7-13(16)17;1-3(4)2-5/h3,5-6,11H,2,4,7H2,1H3,(H,14,15)(H,16,17);3,5H,2,4H2,1H3/t11-;3-/m01/s1