pyridin-1-ium-1-ylmethyl octanoate

Systemtic Name: pyridin-1-ium-1-ylmethyl octanoate Openeye Name: pyridin-1-ium-1-ylmethyl octanoate CAS Name: octanoic acid 1-pyridin-1-iumylmethyl ester IUPAC Name: pyridin-1-ium-1-ylmethyl octanoate Traditional Name: caprylic acid pyridin-1-ium-1-ylmethyl ester Formula: C14H22NO2+ MolecularWeight: 236.32998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22NO2/c1-2-3-4-5-7-10-14(16)17-13-15-11-8-6-9-12-15/h6,8-9,11-12H,2-5,7,10,13H2,1H3/q+1