[(1R)-1-cyano-3-methyl-butyl]-(phenylmethyl)azanium; (2R)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(1R)-1-cyano-3-methyl-butyl]-(phenylmethyl)azanium; (2R)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: benzyl-[(1R)-1-cyano-3-methyl-butyl]ammonium; (2R)-2-hydroxy-2-phenyl-acetate CAS Name: [(1R)-1-cyano-3-methylbutyl]-(phenylmethyl)ammonium; (2R)-2-hydroxy-2-phenylacetate IUPAC Name: benzyl-[(1R)-1-cyano-3-methylbutyl]azanium; (2R)-2-hydroxy-2-phenylacetate Traditional Name: benzyl-[(1R)-1-cyano-3-methyl-butyl]ammonium; (2R)-2-hydroxy-2-phenyl-acetate Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2.C8H8O3/c1-11(2)8-13(9-14)15-10-12-6-4-3-5-7-12;9-7(8(10)11)6-4-2-1-3-5-6/h3-7,11,13,15H,8,10H2,1-2H3;1-5,7,9H,(H,10,11)/t13-;7-/m11/s1