2-(3-tert-butyl-4-decoxy-phenoxy)-N-[2-(1-ethylpyridin-1-ium-3-yl)ethyl]ethanamide iodide

Systemtic Name: 2-(3-tert-butyl-4-decoxy-phenoxy)-N-[2-(1-ethylpyridin-1-ium-3-yl)ethyl]ethanamide iodide Openeye Name: 2-(3-tert-butyl-4-decoxy-phenoxy)-N-[2-(1-ethylpyridin-1-ium-3-yl)ethyl]acetamide iodide CAS Name: 2-(3-tert-butyl-4-decoxyphenoxy)-N-[2-(1-ethyl-3-pyridin-1-iumyl)ethyl]acetamide iodide IUPAC Name: 2-(3-tert-butyl-4-decoxyphenoxy)-N-[2-(1-ethylpyridin-1-ium-3-yl)ethyl]acetamide iodide Traditional Name: 2-(3-tert-butyl-4-decoxy-phenoxy)-N-[2-(1-ethylpyridin-1-ium-3-yl)ethyl]acetamide iodide Formula: C31H49IN2O3 MolecularWeight: 624.63683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)NCCC2=C[N+](=CC=C2)CC)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)NCCC2=C[N+](=CC=C2)CC)C(C)(C)C.[I-]

InChI

InChI=1S/C31H48N2O3.HI/c1-6-8-9-10-11-12-13-14-22-35-29-18-17-27(23-28(29)31(3,4)5)36-25-30(34)32-20-19-26-16-15-21-33(7-2)24-26;/h15-18,21,23-24H,6-14,19-20,22,25H2,1-5H3;1H