N-[2-(1-methylpyridin-1-ium-2-yl)ethyl]-2-oxidanylidene-octadecanamide iodide

Systemtic Name: N-[2-(1-methylpyridin-1-ium-2-yl)ethyl]-2-oxidanylidene-octadecanamide iodide Openeye Name: N-[2-(1-methylpyridin-1-ium-2-yl)ethyl]-2-oxo-octadecanamide iodide CAS Name: N-[2-(1-methyl-2-pyridin-1-iumyl)ethyl]-2-oxooctadecanamide iodide IUPAC Name: N-[2-(1-methylpyridin-1-ium-2-yl)ethyl]-2-oxooctadecanamide iodide Traditional Name: 2-keto-N-[2-(1-methylpyridin-1-ium-2-yl)ethyl]stearamide iodide Formula: C26H45IN2O2 MolecularWeight: 544.55217

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=O)C(=O)NCCC1=CC=CC=[N+]1C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(=O)C(=O)NCCC1=CC=CC=[N+]1C.[I-]

InChI

InChI=1S/C26H44N2O2.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25(29)26(30)27-22-21-24-19-17-18-23-28(24)2;/h17-19,23H,3-16,20-22H2,1-2H3;1H