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

Systemtic Name: 2-(3-tert-butyl-4-dodecoxy-phenoxy)-N-[2-(1-methylpyridin-1-ium-2-yl)ethyl]ethanamide iodide Openeye Name: 2-(3-tert-butyl-4-dodecoxy-phenoxy)-N-[2-(1-methylpyridin-1-ium-2-yl)ethyl]acetamide iodide CAS Name: 2-(3-tert-butyl-4-dodecoxyphenoxy)-N-[2-(1-methyl-2-pyridin-1-iumyl)ethyl]acetamide iodide IUPAC Name: 2-(3-tert-butyl-4-dodecoxyphenoxy)-N-[2-(1-methylpyridin-1-ium-2-yl)ethyl]acetamide iodide Traditional Name: 2-(3-tert-butyl-4-lauryloxy-phenoxy)-N-[2-(1-methylpyridin-1-ium-2-yl)ethyl]acetamide iodide Formula: C32H51IN2O3 MolecularWeight: 638.66341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)NCCC2=CC=CC=[N+]2C)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)NCCC2=CC=CC=[N+]2C)C(C)(C)C.[I-]

InChI

InChI=1S/C32H50N2O3.HI/c1-6-7-8-9-10-11-12-13-14-17-24-36-30-20-19-28(25-29(30)32(2,3)4)37-26-31(35)33-22-21-27-18-15-16-23-34(27)5;/h15-16,18-20,23,25H,6-14,17,21-22,24,26H2,1-5H3;1H