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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44N2O4.HI/c1-4-5-6-7-8-9-10-11-12-13-21-34-26-16-17-27(28(22-26)33-3)35-24-29(32)30-19-18-25-15-14-20-31(2)23-25;/h14-17,20,22-23H,4-13,18-19,21,24H2,1-3H3;1H