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

Systemtic Name: 2-(3-tert-butyl-4-dodecoxy-phenoxy)-N-[2-(1-propylpyridin-1-ium-4-yl)ethyl]ethanamide iodide Openeye Name: 2-(3-tert-butyl-4-dodecoxy-phenoxy)-N-[2-(1-propylpyridin-1-ium-4-yl)ethyl]acetamide iodide CAS Name: 2-(3-tert-butyl-4-dodecoxyphenoxy)-N-[2-(1-propyl-4-pyridin-1-iumyl)ethyl]acetamide iodide IUPAC Name: 2-(3-tert-butyl-4-dodecoxyphenoxy)-N-[2-(1-propylpyridin-1-ium-4-yl)ethyl]acetamide iodide Traditional Name: 2-(3-tert-butyl-4-lauryloxy-phenoxy)-N-[2-(1-propylpyridin-1-ium-4-yl)ethyl]acetamide iodide Formula: C34H55IN2O3 MolecularWeight: 666.71657

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)NCCC2=CC=[N+](C=C2)CCC)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)NCCC2=CC=[N+](C=C2)CCC)C(C)(C)C.[I-]

InChI

InChI=1S/C34H54N2O3.HI/c1-6-8-9-10-11-12-13-14-15-16-26-38-32-18-17-30(27-31(32)34(3,4)5)39-28-33(37)35-22-19-29-20-24-36(23-7-2)25-21-29;/h17-18,20-21,24-25,27H,6-16,19,22-23,26,28H2,1-5H3;1H