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

Systemtic Name: 2-(2-chloranyl-4-decoxy-phenoxy)-N-[2-(1-ethylpyridin-1-ium-2-yl)ethyl]ethanamide iodide Openeye Name: 2-(2-chloro-4-decoxy-phenoxy)-N-[2-(1-ethylpyridin-1-ium-2-yl)ethyl]acetamide iodide CAS Name: 2-(2-chloro-4-decoxyphenoxy)-N-[2-(1-ethyl-2-pyridin-1-iumyl)ethyl]acetamide iodide IUPAC Name: 2-(2-chloro-4-decoxyphenoxy)-N-[2-(1-ethylpyridin-1-ium-2-yl)ethyl]acetamide iodide Traditional Name: 2-(2-chloro-4-decoxy-phenoxy)-N-[2-(1-ethylpyridin-1-ium-2-yl)ethyl]acetamide iodide Formula: C27H40ClIN2O3 MolecularWeight: 602.97557

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC(=C(C=C1)OCC(=O)NCCC2=CC=CC=[N+]2CC)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCOC1=CC(=C(C=C1)OCC(=O)NCCC2=CC=CC=[N+]2CC)Cl.[I-]

InChI

InChI=1S/C27H39ClN2O3.HI/c1-3-5-6-7-8-9-10-13-20-32-24-15-16-26(25(28)21-24)33-22-27(31)29-18-17-23-14-11-12-19-30(23)4-2;/h11-12,14-16,19,21H,3-10,13,17-18,20,22H2,1-2H3;1H