(3-ethyl-1-oxidanyl-pentan-3-yl)azanium; 4-methyl-3-oxidanyl-2-phenyl-pentanoate; bromide

Systemtic Name: (3-ethyl-1-oxidanyl-pentan-3-yl)azanium; 4-methyl-3-oxidanyl-2-phenyl-pentanoate; bromide Openeye Name: (1,1-diethyl-3-hydroxy-propyl)ammonium; 3-hydroxy-4-methyl-2-phenyl-pentanoate; bromide CAS Name: (3-ethyl-1-hydroxypentan-3-yl)ammonium; 3-hydroxy-4-methyl-2-phenylpentanoate; bromide IUPAC Name: (3-ethyl-1-hydroxypentan-3-yl)azanium; 3-hydroxy-4-methyl-2-phenylpentanoate; bromide Traditional Name: (1,1-diethyl-3-hydroxy-propyl)ammonium; 3-hydroxy-4-methyl-2-phenyl-valerate; bromide Formula: C19H33BrNO4- MolecularWeight: 419.37362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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