(2S)-2-(hydroxymethyl)-3-phenyl-propanoate; [(1R,2S)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]azanium

Systemtic Name: (2S)-2-(hydroxymethyl)-3-phenyl-propanoate; [(1R,2S)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]azanium Openeye Name: (2S)-2-benzyl-3-hydroxy-propanoate; [(1R,2S)-2-hydroxyindan-1-yl]ammonium CAS Name: [(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ammonium; (2S)-2-(hydroxymethyl)-3-phenylpropanoate IUPAC Name: (2S)-2-benzyl-3-hydroxypropanoate; [(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]azanium Traditional Name: (2S)-2-benzyl-3-hydroxy-propionate; [(1R,2S)-2-hydroxyindan-1-yl]ammonium Formula: C19H23NO4 MolecularWeight: 329.39022

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C2=CC=CC=C21)[NH3+])O.C1=CC=C(C=C1)CC(CO)C(=O)[O-]

Isomeric SMILES

C1[C@@H]([C@@H](C2=CC=CC=C21)[NH3+])O.C1=CC=C(C=C1)C[C@@H](CO)C(=O)[O-]

InChI

InChI=1S/C10H12O3.C9H11NO/c11-7-9(10(12)13)6-8-4-2-1-3-5-8;10-9-7-4-2-1-3-6(7)5-8(9)11/h1-5,9,11H,6-7H2,(H,12,13);1-4,8-9,11H,5,10H2/t9-;8-,9+/m00/s1