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

Systemtic Name: N-[2-(1-ethylpyridin-1-ium-3-yl)ethyl]-2-(4-hexadecoxy-3-methoxy-phenoxy)ethanamide iodide Openeye Name: N-[2-(1-ethylpyridin-1-ium-3-yl)ethyl]-2-(4-hexadecoxy-3-methoxy-phenoxy)acetamide iodide CAS Name: N-[2-(1-ethyl-3-pyridin-1-iumyl)ethyl]-2-(4-hexadecoxy-3-methoxyphenoxy)acetamide iodide IUPAC Name: N-[2-(1-ethylpyridin-1-ium-3-yl)ethyl]-2-(4-hexadecoxy-3-methoxyphenoxy)acetamide iodide Traditional Name: 2-(4-cetyloxy-3-methoxy-phenoxy)-N-[2-(1-ethylpyridin-1-ium-3-yl)ethyl]acetamide iodide Formula: C34H55IN2O4 MolecularWeight: 682.71597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H54N2O4.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-26-39-32-22-21-31(27-33(32)38-3)40-29-34(37)35-24-23-30-20-19-25-36(5-2)28-30;/h19-22,25,27-28H,4-18,23-24,26,29H2,1-3H3;1H