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

Systemtic Name: 2-(3-chloranyl-4-dodecoxy-phenoxy)-N-[2-(1-propylpyridin-1-ium-2-yl)ethyl]ethanamide iodide Openeye Name: 2-(3-chloro-4-dodecoxy-phenoxy)-N-[2-(1-propylpyridin-1-ium-2-yl)ethyl]acetamide iodide CAS Name: 2-(3-chloro-4-dodecoxyphenoxy)-N-[2-(1-propyl-2-pyridin-1-iumyl)ethyl]acetamide iodide IUPAC Name: 2-(3-chloro-4-dodecoxyphenoxy)-N-[2-(1-propylpyridin-1-ium-2-yl)ethyl]acetamide iodide Traditional Name: 2-(3-chloro-4-lauryloxy-phenoxy)-N-[2-(1-propylpyridin-1-ium-2-yl)ethyl]acetamide iodide Formula: C30H46ClIN2O3 MolecularWeight: 645.05531

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H45ClN2O3.HI/c1-3-5-6-7-8-9-10-11-12-15-23-35-29-18-17-27(24-28(29)31)36-25-30(34)32-20-19-26-16-13-14-22-33(26)21-4-2;/h13-14,16-18,22,24H,3-12,15,19-21,23,25H2,1-2H3;1H