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

Systemtic Name: [(1R,2S)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]azanium; (2R)-2-phenylpropanoate Openeye Name: [(1R,2S)-2-hydroxyindan-1-yl]ammonium; (2R)-2-phenylpropanoate CAS Name: [(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]ammonium; (2R)-2-phenylpropanoate IUPAC Name: [(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]azanium; (2R)-2-phenylpropanoate Traditional Name: [(1R,2S)-2-hydroxyindan-1-yl]ammonium; (2R)-2-phenylpropionate Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO.C9H10O2/c10-9-7-4-2-1-3-6(7)5-8(9)11;1-7(9(10)11)8-5-3-2-4-6-8/h1-4,8-9,11H,5,10H2;2-7H,1H3,(H,10,11)/t8-,9+;7-/m01/s1