[(S)-cyano-(4-methoxyphenyl)methyl]-(phenylmethyl)azanium; (2R)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(S)-cyano-(4-methoxyphenyl)methyl]-(phenylmethyl)azanium; (2R)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: benzyl-[(S)-cyano-(4-methoxyphenyl)methyl]ammonium; (2R)-2-hydroxy-2-phenyl-acetate CAS Name: [(S)-cyano-(4-methoxyphenyl)methyl]-(phenylmethyl)ammonium; (2R)-2-hydroxy-2-phenylacetate IUPAC Name: benzyl-[(S)-cyano-(4-methoxyphenyl)methyl]azanium; (2R)-2-hydroxy-2-phenylacetate Traditional Name: benzyl-[(S)-cyano-(4-methoxyphenyl)methyl]ammonium; (2R)-2-hydroxy-2-phenyl-acetate Formula: C24H24N2O4 MolecularWeight: 404.45836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C#N)[NH2+]CC2=CC=CC=C2.C1=CC=C(C=C1)C(C(=O)[O-])O

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H](C#N)[NH2+]CC2=CC=CC=C2.C1=CC=C(C=C1)[C@H](C(=O)[O-])O

InChI

InChI=1S/C16H16N2O.C8H8O3/c1-19-15-9-7-14(8-10-15)16(11-17)18-12-13-5-3-2-4-6-13;9-7(8(10)11)6-4-2-1-3-5-6/h2-10,16,18H,12H2,1H3;1-5,7,9H,(H,10,11)/t16-;7-/m11/s1