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

Systemtic Name: N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-(2-methyl-4-tetradecoxy-phenoxy)ethanamide iodide Openeye Name: N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-(2-methyl-4-tetradecoxy-phenoxy)acetamide iodide CAS Name: N-acetyl-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-2-(2-methyl-4-tetradecoxyphenoxy)acetamide iodide IUPAC Name: N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-(2-methyl-4-tetradecoxyphenoxy)acetamide iodide Traditional Name: N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-(2-methyl-4-myristyloxy-phenoxy)acetamide iodide Formula: C33H51IN2O4 MolecularWeight: 666.67351

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H51N2O4.HI/c1-5-7-8-9-10-11-12-13-14-15-16-19-24-38-31-21-22-32(28(3)25-31)39-27-33(37)35(29(4)36)26-30-20-17-18-23-34(30)6-2;/h17-18,20-23,25H,5-16,19,24,26-27H2,1-4H3;1H/q+1;/p-1