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

Systemtic Name: [(1R)-1-cyano-3-methyl-butyl]-propan-2-yl-azanium; (2R)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(1R)-1-cyano-3-methyl-butyl]-isopropyl-ammonium; (2R)-2-hydroxy-2-phenyl-acetate CAS Name: [(1R)-1-cyano-3-methylbutyl]-propan-2-ylammonium; (2R)-2-hydroxy-2-phenylacetate IUPAC Name: [(1R)-1-cyano-3-methylbutyl]-propan-2-ylazanium; (2R)-2-hydroxy-2-phenylacetate Traditional Name: [(1R)-1-cyano-3-methyl-butyl]-isopropyl-ammonium; (2R)-2-hydroxy-2-phenyl-acetate Formula: C17H26N2O3 MolecularWeight: 306.39994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H18N2.C8H8O3/c1-7(2)5-9(6-10)11-8(3)4;9-7(8(10)11)6-4-2-1-3-5-6/h7-9,11H,5H2,1-4H3;1-5,7,9H,(H,10,11)/t9-;7-/m11/s1