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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H60N2O3.HI/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-28-41-35-24-23-33(29-34(35)37(3,4)5)42-31-36(40)38-26-25-32-22-21-27-39(7-2)30-32;/h21-24,27,29-30H,6-20,25-26,28,31H2,1-5H3;1H