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

Systemtic Name: 2-(3-tert-butyl-4-tetradecoxy-phenoxy)-N-[2-(1-propylpyridin-1-ium-2-yl)ethyl]ethanamide iodide Openeye Name: 2-(3-tert-butyl-4-tetradecoxy-phenoxy)-N-[2-(1-propylpyridin-1-ium-2-yl)ethyl]acetamide iodide CAS Name: 2-(3-tert-butyl-4-tetradecoxyphenoxy)-N-[2-(1-propyl-2-pyridin-1-iumyl)ethyl]acetamide iodide IUPAC Name: 2-(3-tert-butyl-4-tetradecoxyphenoxy)-N-[2-(1-propylpyridin-1-ium-2-yl)ethyl]acetamide iodide Traditional Name: 2-(3-tert-butyl-4-myristyloxy-phenoxy)-N-[2-(1-propylpyridin-1-ium-2-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=CC=CC=[N+]2CCC)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)NCCC2=CC=CC=[N+]2CCC)C(C)(C)C.[I-]

InChI

InChI=1S/C36H58N2O3.HI/c1-6-8-9-10-11-12-13-14-15-16-17-20-28-40-34-23-22-32(29-33(34)36(3,4)5)41-30-35(39)37-25-24-31-21-18-19-27-38(31)26-7-2;/h18-19,21-23,27,29H,6-17,20,24-26,28,30H2,1-5H3;1H