N-[2-(1-ethylpyridin-1-ium-2-yl)ethyl]-2-(4-hexadecoxyphenoxy)ethanamide iodide

Systemtic Name: N-[2-(1-ethylpyridin-1-ium-2-yl)ethyl]-2-(4-hexadecoxyphenoxy)ethanamide iodide Openeye Name: N-[2-(1-ethylpyridin-1-ium-2-yl)ethyl]-2-(4-hexadecoxyphenoxy)acetamide iodide CAS Name: N-[2-(1-ethyl-2-pyridin-1-iumyl)ethyl]-2-(4-hexadecoxyphenoxy)acetamide iodide IUPAC Name: N-[2-(1-ethylpyridin-1-ium-2-yl)ethyl]-2-(4-hexadecoxyphenoxy)acetamide iodide Traditional Name: 2-(4-cetyloxyphenoxy)-N-[2-(1-ethylpyridin-1-ium-2-yl)ethyl]acetamide iodide Formula: C33H53IN2O3 MolecularWeight: 652.68999

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H52N2O3.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-28-37-31-21-23-32(24-22-31)38-29-33(36)34-26-25-30-20-17-18-27-35(30)4-2;/h17-18,20-24,27H,3-16,19,25-26,28-29H2,1-2H3;1H