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

Systemtic Name: [(1R)-1-cyano-2-ethyl-butyl]-propan-2-yl-azanium; (2R)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(1R)-1-cyano-2-ethyl-butyl]-isopropyl-ammonium; (2R)-2-hydroxy-2-phenyl-acetate CAS Name: [(1R)-1-cyano-2-ethylbutyl]-propan-2-ylammonium; (2R)-2-hydroxy-2-phenylacetate IUPAC Name: [(1R)-1-cyano-2-ethylbutyl]-propan-2-ylazanium; (2R)-2-hydroxy-2-phenylacetate Traditional Name: [(1R)-1-cyano-2-ethyl-butyl]-isopropyl-ammonium; (2R)-2-hydroxy-2-phenyl-acetate Formula: C18H28N2O3 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H20N2.C8H8O3/c1-5-9(6-2)10(7-11)12-8(3)4;9-7(8(10)11)6-4-2-1-3-5-6/h8-10,12H,5-6H2,1-4H3;1-5,7,9H,(H,10,11)/t10-;7-/m01/s1