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

Systemtic Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-(4-hexadecoxyphenoxy)ethanamide iodide Openeye Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-(4-hexadecoxyphenoxy)acetamide iodide CAS Name: N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-2-(4-hexadecoxyphenoxy)acetamide iodide IUPAC Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-(4-hexadecoxyphenoxy)acetamide iodide Traditional Name: 2-(4-cetyloxyphenoxy)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide iodide Formula: C32H51IN2O3 MolecularWeight: 638.66341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)OCC(=O)NCC2=CC=CC=[N+]2CC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)OCC(=O)NCC2=CC=CC=[N+]2CC.[I-]

InChI

InChI=1S/C32H50N2O3.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-26-36-30-21-23-31(24-22-30)37-28-32(35)33-27-29-20-17-18-25-34(29)4-2;/h17-18,20-25H,3-16,19,26-28H2,1-2H3;1H