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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24NO2.BrH/c1-3-4-5-6-8-11-15(17)18-14(2)16-12-9-7-10-13-16;/h7,9-10,12-14H,3-6,8,11H2,1-2H3;1H/q+1;/p-1