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

Systemtic Name: [(1R)-1-cyano-2-methyl-propyl]-(phenylmethyl)azanium; (2R)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: benzyl-[(1R)-1-cyano-2-methyl-propyl]ammonium; (2R)-2-hydroxy-2-phenyl-acetate CAS Name: [(1R)-1-cyano-2-methylpropyl]-(phenylmethyl)ammonium; (2R)-2-hydroxy-2-phenylacetate IUPAC Name: benzyl-[(1R)-1-cyano-2-methylpropyl]azanium; (2R)-2-hydroxy-2-phenylacetate Traditional Name: benzyl-[(1R)-1-cyano-2-methyl-propyl]ammonium; (2R)-2-hydroxy-2-phenyl-acetate Formula: C20H24N2O3 MolecularWeight: 340.41616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2.C8H8O3/c1-10(2)12(8-13)14-9-11-6-4-3-5-7-11;9-7(8(10)11)6-4-2-1-3-5-6/h3-7,10,12,14H,9H2,1-2H3;1-5,7,9H,(H,10,11)/t12-;7-/m01/s1