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

Systemtic Name: 2-(3-chloranyl-4-dodecoxy-phenoxy)-N-[2-(1-ethylpyridin-1-ium-4-yl)ethyl]ethanamide iodide Openeye Name: 2-(3-chloro-4-dodecoxy-phenoxy)-N-[2-(1-ethylpyridin-1-ium-4-yl)ethyl]acetamide iodide CAS Name: 2-(3-chloro-4-dodecoxyphenoxy)-N-[2-(1-ethyl-4-pyridin-1-iumyl)ethyl]acetamide iodide IUPAC Name: 2-(3-chloro-4-dodecoxyphenoxy)-N-[2-(1-ethylpyridin-1-ium-4-yl)ethyl]acetamide iodide Traditional Name: 2-(3-chloro-4-lauryloxy-phenoxy)-N-[2-(1-ethylpyridin-1-ium-4-yl)ethyl]acetamide iodide Formula: C29H44ClIN2O3 MolecularWeight: 631.02873

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)NCCC2=CC=[N+](C=C2)CC)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)NCCC2=CC=[N+](C=C2)CC)Cl.[I-]

InChI

InChI=1S/C29H43ClN2O3.HI/c1-3-5-6-7-8-9-10-11-12-13-22-34-28-15-14-26(23-27(28)30)35-24-29(33)31-19-16-25-17-20-32(4-2)21-18-25;/h14-15,17-18,20-21,23H,3-13,16,19,22,24H2,1-2H3;1H