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

Systemtic Name: 2-(4-dodecoxy-3-methoxy-phenoxy)-N-[2-(1-methylpyridin-1-ium-2-yl)ethyl]ethanamide iodide Openeye Name: 2-(4-dodecoxy-3-methoxy-phenoxy)-N-[2-(1-methylpyridin-1-ium-2-yl)ethyl]acetamide iodide CAS Name: 2-(4-dodecoxy-3-methoxyphenoxy)-N-[2-(1-methyl-2-pyridin-1-iumyl)ethyl]acetamide iodide IUPAC Name: 2-(4-dodecoxy-3-methoxyphenoxy)-N-[2-(1-methylpyridin-1-ium-2-yl)ethyl]acetamide iodide Traditional Name: 2-(4-lauryloxy-3-methoxy-phenoxy)-N-[2-(1-methylpyridin-1-ium-2-yl)ethyl]acetamide iodide Formula: C29H45IN2O4 MolecularWeight: 612.58307

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44N2O4.HI/c1-4-5-6-7-8-9-10-11-12-15-22-34-27-18-17-26(23-28(27)33-3)35-24-29(32)30-20-19-25-16-13-14-21-31(25)2;/h13-14,16-18,21,23H,4-12,15,19-20,22,24H2,1-3H3;1H