azanium (3-ethyl-1-oxidanyl-pentan-3-yl) 2-phenylpentanoate hydroiodide

Systemtic Name: azanium (3-ethyl-1-oxidanyl-pentan-3-yl) 2-phenylpentanoate hydroiodide Openeye Name: ammonium (1,1-diethyl-3-hydroxy-propyl) 2-phenylpentanoate hydroiodide CAS Name: ammonium 2-phenylpentanoic acid (3-ethyl-1-hydroxypentan-3-yl) ester hydroiodide IUPAC Name: azanium (3-ethyl-1-hydroxypentan-3-yl) 2-phenylpentanoate hydroiodide Traditional Name: ammonium 2-phenylvaleric acid (1,1-diethyl-3-hydroxy-propyl) ester hydroiodide Formula: C18H33INO3+ MolecularWeight: 438.36399

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)C(=O)OC(CC)(CC)CCO.[NH4+].I

Isomeric SMILES

CCCC(C1=CC=CC=C1)C(=O)OC(CC)(CC)CCO.[NH4+].I

InChI

InChI=1S/C18H28O3.HI.H3N/c1-4-10-16(15-11-8-7-9-12-15)17(20)21-18(5-2,6-3)13-14-19;;/h7-9,11-12,16,19H,4-6,10,13-14H2,1-3H3;1H;1H3/p+1