[(1R)-1-cyano-2-phenyl-ethyl]-(phenylmethyl)azanium; (2R)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(1R)-1-cyano-2-phenyl-ethyl]-(phenylmethyl)azanium; (2R)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: benzyl-[(1R)-1-cyano-2-phenyl-ethyl]ammonium; (2R)-2-hydroxy-2-phenyl-acetate CAS Name: [(1R)-1-cyano-2-phenylethyl]-(phenylmethyl)ammonium; (2R)-2-hydroxy-2-phenylacetate IUPAC Name: benzyl-[(1R)-1-cyano-2-phenylethyl]azanium; (2R)-2-hydroxy-2-phenylacetate Traditional Name: benzyl-[(1R)-1-cyano-2-phenyl-ethyl]ammonium; (2R)-2-hydroxy-2-phenyl-acetate Formula: C24H24N2O3 MolecularWeight: 388.45896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C#N)[NH2+]CC2=CC=CC=C2.C1=CC=C(C=C1)C(C(=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C#N)[NH2+]CC2=CC=CC=C2.C1=CC=C(C=C1)[C@H](C(=O)[O-])O

InChI

InChI=1S/C16H16N2.C8H8O3/c17-12-16(11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15;9-7(8(10)11)6-4-2-1-3-5-6/h1-10,16,18H,11,13H2;1-5,7,9H,(H,10,11)/t16-;7-/m11/s1