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

Systemtic Name: 2-(2-chloranyl-4-dodecoxy-phenoxy)-N-[2-(1-methylpyridin-1-ium-2-yl)ethyl]ethanamide iodide Openeye Name: 2-(2-chloro-4-dodecoxy-phenoxy)-N-[2-(1-methylpyridin-1-ium-2-yl)ethyl]acetamide iodide CAS Name: 2-(2-chloro-4-dodecoxyphenoxy)-N-[2-(1-methyl-2-pyridin-1-iumyl)ethyl]acetamide iodide IUPAC Name: 2-(2-chloro-4-dodecoxyphenoxy)-N-[2-(1-methylpyridin-1-ium-2-yl)ethyl]acetamide iodide Traditional Name: 2-(2-chloro-4-lauryloxy-phenoxy)-N-[2-(1-methylpyridin-1-ium-2-yl)ethyl]acetamide iodide Formula: C28H42ClIN2O3 MolecularWeight: 617.00215

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C(C=C1)OCC(=O)NCCC2=CC=CC=[N+]2C)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1)OCC(=O)NCCC2=CC=CC=[N+]2C)Cl.[I-]

InChI

InChI=1S/C28H41ClN2O3.HI/c1-3-4-5-6-7-8-9-10-11-14-21-33-25-16-17-27(26(29)22-25)34-23-28(32)30-19-18-24-15-12-13-20-31(24)2;/h12-13,15-17,20,22H,3-11,14,18-19,21,23H2,1-2H3;1H