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

Systemtic Name: [(S)-cyano-(4-methylphenyl)methyl]-(phenylmethyl)azanium; (2R)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: benzyl-[(S)-cyano(p-tolyl)methyl]ammonium; (2R)-2-hydroxy-2-phenyl-acetate CAS Name: [(S)-cyano-(4-methylphenyl)methyl]-(phenylmethyl)ammonium; (2R)-2-hydroxy-2-phenylacetate IUPAC Name: benzyl-[(S)-cyano-(4-methylphenyl)methyl]azanium; (2R)-2-hydroxy-2-phenylacetate Traditional Name: benzyl-[(S)-cyano(p-tolyl)methyl]ammonium; (2R)-2-hydroxy-2-phenyl-acetate Formula: C24H24N2O3 MolecularWeight: 388.45896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C#N)[NH2+]CC2=CC=CC=C2.C1=CC=C(C=C1)C(C(=O)[O-])O

Isomeric SMILES

CC1=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/C16H16N2.C8H8O3/c1-13-7-9-15(10-8-13)16(11-17)18-12-14-5-3-2-4-6-14;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