2-(3-tert-butyl-4-tetradecoxy-phenoxy)-N-[2-(1-propylpyridin-1-ium-3-yl)ethyl]ethanamide iodide

Systemtic Name: 2-(3-tert-butyl-4-tetradecoxy-phenoxy)-N-[2-(1-propylpyridin-1-ium-3-yl)ethyl]ethanamide iodide Openeye Name: 2-(3-tert-butyl-4-tetradecoxy-phenoxy)-N-[2-(1-propylpyridin-1-ium-3-yl)ethyl]acetamide iodide CAS Name: 2-(3-tert-butyl-4-tetradecoxyphenoxy)-N-[2-(1-propyl-3-pyridin-1-iumyl)ethyl]acetamide iodide IUPAC Name: 2-(3-tert-butyl-4-tetradecoxyphenoxy)-N-[2-(1-propylpyridin-1-ium-3-yl)ethyl]acetamide iodide Traditional Name: 2-(3-tert-butyl-4-myristyloxy-phenoxy)-N-[2-(1-propylpyridin-1-ium-3-yl)ethyl]acetamide iodide Formula: C36H59IN2O3 MolecularWeight: 694.76973

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)NCCC2=C[N+](=CC=C2)CCC)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)NCCC2=C[N+](=CC=C2)CCC)C(C)(C)C.[I-]

InChI

InChI=1S/C36H58N2O3.HI/c1-6-8-9-10-11-12-13-14-15-16-17-18-27-40-34-22-21-32(28-33(34)36(3,4)5)41-30-35(39)37-24-23-31-20-19-26-38(29-31)25-7-2;/h19-22,26,28-29H,6-18,23-25,27,30H2,1-5H3;1H