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

Systemtic Name: 3,4-dimethoxybenzoate; trimethyl-(1-oxidanyl-1-phenyl-propan-2-yl)azanium; iodide Openeye Name: 3,4-dimethoxybenzoate; (2-hydroxy-1-methyl-2-phenyl-ethyl)-trimethyl-ammonium; iodide CAS Name: 3,4-dimethoxybenzoate; (1-hydroxy-1-phenylpropan-2-yl)-trimethylammonium; iodide IUPAC Name: 3,4-dimethoxybenzoate; (1-hydroxy-1-phenylpropan-2-yl)-trimethylazanium; iodide Traditional Name: 3,4-dimethoxybenzoate; (2-hydroxy-1-methyl-2-phenyl-ethyl)-trimethyl-ammonium; iodide Formula: C21H29INO5- MolecularWeight: 502.36313

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20NO.C9H10O4.HI/c1-10(13(2,3)4)12(14)11-8-6-5-7-9-11;1-12-7-4-3-6(9(10)11)5-8(7)13-2;/h5-10,12,14H,1-4H3;3-5H,1-2H3,(H,10,11);1H/q+1;;/p-2