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

Systemtic Name: 2-(3-tert-butyl-4-tetradecoxy-phenoxy)-N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]ethanamide iodide Openeye Name: N-acetyl-2-(3-tert-butyl-4-tetradecoxy-phenoxy)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide iodide CAS Name: N-acetyl-2-(3-tert-butyl-4-tetradecoxyphenoxy)-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: N-acetyl-2-(3-tert-butyl-4-tetradecoxyphenoxy)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide iodide Traditional Name: N-acetyl-2-(3-tert-butyl-4-myristyloxy-phenoxy)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide iodide Formula: C36H57IN2O4 MolecularWeight: 708.75325

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C)C(C)(C)C.[I-]

InChI

InChI=1S/C36H57N2O4.HI/c1-7-9-10-11-12-13-14-15-16-17-18-21-26-41-34-24-23-32(27-33(34)36(4,5)6)42-29-35(40)38(30(3)39)28-31-22-19-20-25-37(31)8-2;/h19-20,22-25,27H,7-18,21,26,28-29H2,1-6H3;1H/q+1;/p-1