2-pyridin-1-ium-1-ylethyl icosanoate

Systemtic Name: 2-pyridin-1-ium-1-ylethyl icosanoate Openeye Name: 2-pyridin-1-ium-1-ylethyl icosanoate CAS Name: eicosanoic acid 2-(1-pyridin-1-iumyl)ethyl ester IUPAC Name: 2-pyridin-1-ium-1-ylethyl icosanoate Traditional Name: arachidic acid 2-pyridin-1-ium-1-ylethyl ester Formula: C27H48NO2+ MolecularWeight: 418.67552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OCC[N+]1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OCC[N+]1=CC=CC=C1

InChI

InChI=1S/C27H48NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-27(29)30-26-25-28-23-20-18-21-24-28/h18,20-21,23-24H,2-17,19,22,25-26H2,1H3/q+1