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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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