(3-ethyl-1-oxidanyl-1-phenyl-pentan-3-yl)azanium; 3,4,5-trimethoxybenzoate; iodide

Systemtic Name: (3-ethyl-1-oxidanyl-1-phenyl-pentan-3-yl)azanium; 3,4,5-trimethoxybenzoate; iodide Openeye Name: (1,1-diethyl-3-hydroxy-3-phenyl-propyl)ammonium; 3,4,5-trimethoxybenzoate; iodide CAS Name: (3-ethyl-1-hydroxy-1-phenylpentan-3-yl)ammonium; 3,4,5-trimethoxybenzoate; iodide IUPAC Name: (3-ethyl-1-hydroxy-1-phenylpentan-3-yl)azanium; 3,4,5-trimethoxybenzoate; iodide Traditional Name: (1,1-diethyl-3-hydroxy-3-phenyl-propyl)ammonium; 3,4,5-trimethoxybenzoate; iodide Formula: C23H33INO6- MolecularWeight: 546.41569

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC(C1=CC=CC=C1)O)[NH3+].COC1=CC(=CC(=C1OC)OC)C(=O)[O-].[I-]

Isomeric SMILES

CCC(CC)(CC(C1=CC=CC=C1)O)[NH3+].COC1=CC(=CC(=C1OC)OC)C(=O)[O-].[I-]

InChI

InChI=1S/C13H21NO.C10H12O5.HI/c1-3-13(14,4-2)10-12(15)11-8-6-5-7-9-11;1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3;/h5-9,12,15H,3-4,10,14H2,1-2H3;4-5H,1-3H3,(H,11,12);1H/p-1