3,4,5-trimethoxybenzoate; trimethyl-(1-oxidanyl-1-phenyl-propan-2-yl)azanium; iodide

Systemtic Name: 3,4,5-trimethoxybenzoate; trimethyl-(1-oxidanyl-1-phenyl-propan-2-yl)azanium; iodide Openeye Name: (2-hydroxy-1-methyl-2-phenyl-ethyl)-trimethyl-ammonium; 3,4,5-trimethoxybenzoate; iodide CAS Name: (1-hydroxy-1-phenylpropan-2-yl)-trimethylammonium; 3,4,5-trimethoxybenzoate; iodide IUPAC Name: (1-hydroxy-1-phenylpropan-2-yl)-trimethylazanium; 3,4,5-trimethoxybenzoate; iodide Traditional Name: (2-hydroxy-1-methyl-2-phenyl-ethyl)-trimethyl-ammonium; 3,4,5-trimethoxybenzoate; iodide Formula: C22H31INO6- MolecularWeight: 532.38911

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20NO.C10H12O5.HI/c1-10(13(2,3)4)12(14)11-8-6-5-7-9-11;1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3;/h5-10,12,14H,1-4H3;4-5H,1-3H3,(H,11,12);1H/q+1;;/p-2