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

Systemtic Name: 2-(3-tert-butyl-4-decoxy-phenoxy)-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]ethanamide iodide Openeye Name: 2-(3-tert-butyl-4-decoxy-phenoxy)-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]acetamide iodide CAS Name: 2-(3-tert-butyl-4-decoxyphenoxy)-N-[2-(1-methyl-3-pyridin-1-iumyl)ethyl]acetamide iodide IUPAC Name: 2-(3-tert-butyl-4-decoxyphenoxy)-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]acetamide iodide Traditional Name: 2-(3-tert-butyl-4-decoxy-phenoxy)-N-[2-(1-methylpyridin-1-ium-3-yl)ethyl]acetamide iodide Formula: C30H47IN2O3 MolecularWeight: 610.61025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H46N2O3.HI/c1-6-7-8-9-10-11-12-13-21-34-28-17-16-26(22-27(28)30(2,3)4)35-24-29(33)31-19-18-25-15-14-20-32(5)23-25;/h14-17,20,22-23H,6-13,18-19,21,24H2,1-5H3;1H