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

Systemtic Name: 2-(3-tert-butyl-4-dodecoxy-phenoxy)-N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]ethanamide iodide Openeye Name: N-acetyl-2-(3-tert-butyl-4-dodecoxy-phenoxy)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide iodide CAS Name: N-acetyl-2-(3-tert-butyl-4-dodecoxyphenoxy)-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: N-acetyl-2-(3-tert-butyl-4-dodecoxyphenoxy)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide iodide Traditional Name: N-acetyl-2-(3-tert-butyl-4-lauryloxy-phenoxy)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide iodide Formula: C34H53IN2O4 MolecularWeight: 680.70009

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C)C(C)(C)C.[I-]

InChI

InChI=1S/C34H53N2O4.HI/c1-7-9-10-11-12-13-14-15-16-19-24-39-32-22-21-30(25-31(32)34(4,5)6)40-27-33(38)36(28(3)37)26-29-20-17-18-23-35(29)8-2;/h17-18,20-23,25H,7-16,19,24,26-27H2,1-6H3;1H/q+1;/p-1