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

Systemtic Name: 2-(3-tert-butyl-4-dodecoxy-phenoxy)-N-[1-(1-ethylpyridin-1-ium-4-yl)ethyl]ethanamide iodide Openeye Name: 2-(3-tert-butyl-4-dodecoxy-phenoxy)-N-[1-(1-ethylpyridin-1-ium-4-yl)ethyl]acetamide iodide CAS Name: 2-(3-tert-butyl-4-dodecoxyphenoxy)-N-[1-(1-ethyl-4-pyridin-1-iumyl)ethyl]acetamide iodide IUPAC Name: 2-(3-tert-butyl-4-dodecoxyphenoxy)-N-[1-(1-ethylpyridin-1-ium-4-yl)ethyl]acetamide iodide Traditional Name: 2-(3-tert-butyl-4-lauryloxy-phenoxy)-N-[1-(1-ethylpyridin-1-ium-4-yl)ethyl]acetamide iodide Formula: C33H53IN2O3 MolecularWeight: 652.68999

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H52N2O3.HI/c1-7-9-10-11-12-13-14-15-16-17-24-37-31-19-18-29(25-30(31)33(4,5)6)38-26-32(36)34-27(3)28-20-22-35(8-2)23-21-28;/h18-23,25,27H,7-17,24,26H2,1-6H3;1H