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

Systemtic Name: 2-(3-tert-butyl-4-tetradecoxy-phenoxy)-N-[1-(1-ethylpyridin-1-ium-4-yl)ethyl]ethanamide iodide Openeye Name: 2-(3-tert-butyl-4-tetradecoxy-phenoxy)-N-[1-(1-ethylpyridin-1-ium-4-yl)ethyl]acetamide iodide CAS Name: 2-(3-tert-butyl-4-tetradecoxyphenoxy)-N-[1-(1-ethyl-4-pyridin-1-iumyl)ethyl]acetamide iodide IUPAC Name: 2-(3-tert-butyl-4-tetradecoxyphenoxy)-N-[1-(1-ethylpyridin-1-ium-4-yl)ethyl]acetamide iodide Traditional Name: 2-(3-tert-butyl-4-myristyloxy-phenoxy)-N-[1-(1-ethylpyridin-1-ium-4-yl)ethyl]acetamide iodide Formula: C35H57IN2O3 MolecularWeight: 680.74315

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)NC(C)C2=CC=[N+](C=C2)CC)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)NC(C)C2=CC=[N+](C=C2)CC)C(C)(C)C.[I-]

InChI

InChI=1S/C35H56N2O3.HI/c1-7-9-10-11-12-13-14-15-16-17-18-19-26-39-33-21-20-31(27-32(33)35(4,5)6)40-28-34(38)36-29(3)30-22-24-37(8-2)25-23-30;/h20-25,27,29H,7-19,26,28H2,1-6H3;1H