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

Systemtic Name: 2-pyridin-1-ium-1-ylethyl octanoate bromide Openeye Name: 2-pyridin-1-ium-1-ylethyl octanoate bromide CAS Name: octanoic acid 2-(1-pyridin-1-iumyl)ethyl ester bromide IUPAC Name: 2-pyridin-1-ium-1-ylethyl octanoate bromide Traditional Name: caprylic acid 2-pyridin-1-ium-1-ylethyl ester bromide Formula: C15H24BrNO2 MolecularWeight: 330.26056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24NO2.BrH/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;1H/q+1;/p-1