2-pyridin-1-ium-1-ylethyl octanoate

Systemtic Name: 2-pyridin-1-ium-1-ylethyl octanoate Openeye Name: 2-pyridin-1-ium-1-ylethyl octanoate CAS Name: octanoic acid 2-(1-pyridin-1-iumyl)ethyl ester IUPAC Name: 2-pyridin-1-ium-1-ylethyl octanoate Traditional Name: caprylic acid 2-pyridin-1-ium-1-ylethyl ester Formula: C15H24NO2+ MolecularWeight: 250.35656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24NO2/c1-2-3-4-5-7-10-15(17)18-14-13-16-11-8-6-9-12-16/h6,8-9,11-12H,2-5,7,10,13-14H2,1H3/q+1