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

Systemtic Name: 2-(3-chloranyl-4-decoxy-phenoxy)-N-[2-(1-ethylpyridin-1-ium-3-yl)ethyl]ethanamide iodide Openeye Name: 2-(3-chloro-4-decoxy-phenoxy)-N-[2-(1-ethylpyridin-1-ium-3-yl)ethyl]acetamide iodide CAS Name: 2-(3-chloro-4-decoxyphenoxy)-N-[2-(1-ethyl-3-pyridin-1-iumyl)ethyl]acetamide iodide IUPAC Name: 2-(3-chloro-4-decoxyphenoxy)-N-[2-(1-ethylpyridin-1-ium-3-yl)ethyl]acetamide iodide Traditional Name: 2-(3-chloro-4-decoxy-phenoxy)-N-[2-(1-ethylpyridin-1-ium-3-yl)ethyl]acetamide iodide Formula: C27H40ClIN2O3 MolecularWeight: 602.97557

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)NCCC2=C[N+](=CC=C2)CC)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)NCCC2=C[N+](=CC=C2)CC)Cl.[I-]

InChI

InChI=1S/C27H39ClN2O3.HI/c1-3-5-6-7-8-9-10-11-19-32-26-15-14-24(20-25(26)28)33-22-27(31)29-17-16-23-13-12-18-30(4-2)21-23;/h12-15,18,20-21H,3-11,16-17,19,22H2,1-2H3;1H