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

Systemtic Name: 2-(3-tert-butyl-4-hexadecoxy-phenoxy)-N-[2-(1-ethylpyridin-1-ium-2-yl)ethyl]ethanamide iodide Openeye Name: 2-(3-tert-butyl-4-hexadecoxy-phenoxy)-N-[2-(1-ethylpyridin-1-ium-2-yl)ethyl]acetamide iodide CAS Name: 2-(3-tert-butyl-4-hexadecoxyphenoxy)-N-[2-(1-ethyl-2-pyridin-1-iumyl)ethyl]acetamide iodide IUPAC Name: 2-(3-tert-butyl-4-hexadecoxyphenoxy)-N-[2-(1-ethylpyridin-1-ium-2-yl)ethyl]acetamide iodide Traditional Name: 2-(3-tert-butyl-4-cetyloxy-phenoxy)-N-[2-(1-ethylpyridin-1-ium-2-yl)ethyl]acetamide iodide Formula: C37H61IN2O3 MolecularWeight: 708.79631

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)NCCC2=CC=CC=[N+]2CC)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)NCCC2=CC=CC=[N+]2CC)C(C)(C)C.[I-]

InChI

InChI=1S/C37H60N2O3.HI/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-22-29-41-35-25-24-33(30-34(35)37(3,4)5)42-31-36(40)38-27-26-32-23-20-21-28-39(32)7-2;/h20-21,23-25,28,30H,6-19,22,26-27,29,31H2,1-5H3;1H