N-ethanoyl-2-(4-hexadecoxyphenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]ethanamide iodide

Systemtic Name: N-ethanoyl-2-(4-hexadecoxyphenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]ethanamide iodide Openeye Name: N-acetyl-2-(4-hexadecoxyphenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]acetamide iodide CAS Name: N-acetyl-2-(4-hexadecoxyphenoxy)-N-[(1-methyl-2-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: N-acetyl-2-(4-hexadecoxyphenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]acetamide iodide Traditional Name: N-acetyl-2-(4-cetyloxyphenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]acetamide iodide Formula: C33H51IN2O4 MolecularWeight: 666.67351

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)OCC(=O)N(CC2=CC=CC=[N+]2C)C(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)OCC(=O)N(CC2=CC=CC=[N+]2C)C(=O)C.[I-]

InChI

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