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

Systemtic Name: 2-(3-tert-butyl-4-tetradecoxy-phenoxy)-N-ethanoyl-N-[2-(1-ethylpyridin-1-ium-2-yl)ethyl]ethanamide iodide Openeye Name: N-acetyl-2-(3-tert-butyl-4-tetradecoxy-phenoxy)-N-[2-(1-ethylpyridin-1-ium-2-yl)ethyl]acetamide iodide CAS Name: N-acetyl-2-(3-tert-butyl-4-tetradecoxyphenoxy)-N-[2-(1-ethyl-2-pyridin-1-iumyl)ethyl]acetamide iodide IUPAC Name: N-acetyl-2-(3-tert-butyl-4-tetradecoxyphenoxy)-N-[2-(1-ethylpyridin-1-ium-2-yl)ethyl]acetamide iodide Traditional Name: N-acetyl-2-(3-tert-butyl-4-myristyloxy-phenoxy)-N-[2-(1-ethylpyridin-1-ium-2-yl)ethyl]acetamide iodide Formula: C37H59IN2O4 MolecularWeight: 722.77983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)N(CCC2=CC=CC=[N+]2CC)C(=O)C)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)N(CCC2=CC=CC=[N+]2CC)C(=O)C)C(C)(C)C.[I-]

InChI

InChI=1S/C37H59N2O4.HI/c1-7-9-10-11-12-13-14-15-16-17-18-21-28-42-35-24-23-33(29-34(35)37(4,5)6)43-30-36(41)39(31(3)40)27-25-32-22-19-20-26-38(32)8-2;/h19-20,22-24,26,29H,7-18,21,25,27-28,30H2,1-6H3;1H/q+1;/p-1