(3-ethyl-1-oxidanyl-pentan-3-yl)azanium; 3-oxidanyl-2-phenyl-hexanoate; bromide

Systemtic Name: (3-ethyl-1-oxidanyl-pentan-3-yl)azanium; 3-oxidanyl-2-phenyl-hexanoate; bromide Openeye Name: (1,1-diethyl-3-hydroxy-propyl)ammonium; 3-hydroxy-2-phenyl-hexanoate; bromide CAS Name: (3-ethyl-1-hydroxypentan-3-yl)ammonium; 3-hydroxy-2-phenylhexanoate; bromide IUPAC Name: (3-ethyl-1-hydroxypentan-3-yl)azanium; 3-hydroxy-2-phenylhexanoate; bromide Traditional Name: (1,1-diethyl-3-hydroxy-propyl)ammonium; 3-hydroxy-2-phenyl-hexanoate; bromide Formula: C19H33BrNO4- MolecularWeight: 419.37362

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C1=CC=CC=C1)C(=O)[O-])O.CCC(CC)(CCO)[NH3+].[Br-]

Isomeric SMILES

CCCC(C(C1=CC=CC=C1)C(=O)[O-])O.CCC(CC)(CCO)[NH3+].[Br-]

InChI

InChI=1S/C12H16O3.C7H17NO.BrH/c1-2-6-10(13)11(12(14)15)9-7-4-3-5-8-9;1-3-7(8,4-2)5-6-9;/h3-5,7-8,10-11,13H,2,6H2,1H3,(H,14,15);9H,3-6,8H2,1-2H3;1H/p-1