2-butoxy-3-methoxy-benzoate; 2-(4-methylmorpholin-4-ium-4-yl)ethanol; iodide

Systemtic Name: 2-butoxy-3-methoxy-benzoate; 2-(4-methylmorpholin-4-ium-4-yl)ethanol; iodide Openeye Name: 2-butoxy-3-methoxy-benzoate; 2-(4-methylmorpholin-4-ium-4-yl)ethanol; iodide CAS Name: 2-butoxy-3-methoxybenzoate; 2-(4-methyl-4-morpholin-4-iumyl)ethanol; iodide IUPAC Name: 2-butoxy-3-methoxybenzoate; 2-(4-methylmorpholin-4-ium-4-yl)ethanol; iodide Traditional Name: 2-butoxy-3-methoxy-benzoate; 2-(4-methylmorpholin-4-ium-4-yl)ethanol; iodide Formula: C19H31INO6- MolecularWeight: 496.35701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC=C1OC)C(=O)[O-].C[N+]1(CCOCC1)CCO.[I-]

Isomeric SMILES

CCCCOC1=C(C=CC=C1OC)C(=O)[O-].C[N+]1(CCOCC1)CCO.[I-]

InChI

InChI=1S/C12H16O4.C7H16NO2.HI/c1-3-4-8-16-11-9(12(13)14)6-5-7-10(11)15-2;1-8(2-5-9)3-6-10-7-4-8;/h5-7H,3-4,8H2,1-2H3,(H,13,14);9H,2-7H2,1H3;1H/q;+1;/p-2