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

Systemtic Name: [(1R)-1-cyano-2-ethyl-butyl]-(phenylmethyl)azanium; (2R)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: benzyl-[(1R)-1-cyano-2-ethyl-butyl]ammonium; (2R)-2-hydroxy-2-phenyl-acetate CAS Name: [(1R)-1-cyano-2-ethylbutyl]-(phenylmethyl)ammonium; (2R)-2-hydroxy-2-phenylacetate IUPAC Name: benzyl-[(1R)-1-cyano-2-ethylbutyl]azanium; (2R)-2-hydroxy-2-phenylacetate Traditional Name: benzyl-[(1R)-1-cyano-2-ethyl-butyl]ammonium; (2R)-2-hydroxy-2-phenyl-acetate Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2.C8H8O3/c1-3-13(4-2)14(10-15)16-11-12-8-6-5-7-9-12;9-7(8(10)11)6-4-2-1-3-5-6/h5-9,13-14,16H,3-4,11H2,1-2H3;1-5,7,9H,(H,10,11)/t14-;7-/m01/s1