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

Systemtic Name: 2-(3-tert-butyl-4-hexadecoxy-phenoxy)-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]ethanamide iodide Openeye Name: 2-(3-tert-butyl-4-hexadecoxy-phenoxy)-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]acetamide iodide CAS Name: 2-(3-tert-butyl-4-hexadecoxyphenoxy)-N-[2-(1-methyl-3-pyridin-1-iumyl)ethyl]acetamide iodide IUPAC Name: 2-(3-tert-butyl-4-hexadecoxyphenoxy)-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]acetamide iodide Traditional Name: 2-(3-tert-butyl-4-cetyloxy-phenoxy)-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]acetamide iodide Formula: C36H59IN2O3 MolecularWeight: 694.76973

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)NCCC2=C[N+](=CC=C2)C)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)NCCC2=C[N+](=CC=C2)C)C(C)(C)C.[I-]

InChI

InChI=1S/C36H58N2O3.HI/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27-40-34-23-22-32(28-33(34)36(2,3)4)41-30-35(39)37-25-24-31-21-20-26-38(5)29-31;/h20-23,26,28-29H,6-19,24-25,27,30H2,1-5H3;1H