methyl-[(3R)-3-oxidanyl-3-phenyl-propyl]azanium; (2S)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: methyl-[(3R)-3-oxidanyl-3-phenyl-propyl]azanium; (2S)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: (2S)-2-hydroxy-2-phenyl-acetate; [(3R)-3-hydroxy-3-phenyl-propyl]-methyl-ammonium CAS Name: (2S)-2-hydroxy-2-phenylacetate; [(3R)-3-hydroxy-3-phenylpropyl]-methylammonium IUPAC Name: (2S)-2-hydroxy-2-phenylacetate; [(3R)-3-hydroxy-3-phenylpropyl]-methylazanium Traditional Name: (2S)-2-hydroxy-2-phenyl-acetate; [(3R)-3-hydroxy-3-phenyl-propyl]-methyl-ammonium Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CCC(C1=CC=CC=C1)O.C1=CC=C(C=C1)C(C(=O)[O-])O

Isomeric SMILES

C[NH2+]CC[C@H](C1=CC=CC=C1)O.C1=CC=C(C=C1)[C@@H](C(=O)[O-])O

InChI

InChI=1S/C10H15NO.C8H8O3/c1-11-8-7-10(12)9-5-3-2-4-6-9;9-7(8(10)11)6-4-2-1-3-5-6/h2-6,10-12H,7-8H2,1H3;1-5,7,9H,(H,10,11)/t10-;7-/m10/s1