N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-(3-tetradecoxyphenoxy)propanamide iodide

Systemtic Name: N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-(3-tetradecoxyphenoxy)propanamide iodide Openeye Name: N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-(3-tetradecoxyphenoxy)propanamide iodide CAS Name: N-acetyl-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-2-(3-tetradecoxyphenoxy)propanamide iodide IUPAC Name: N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-(3-tetradecoxyphenoxy)propanamide iodide Traditional Name: N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-(3-myristyloxyphenoxy)propionamide iodide Formula: C33H51IN2O4 MolecularWeight: 666.67351

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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