1-pyridin-1-ium-1-ylethyl decanoate bromide

Systemtic Name: 1-pyridin-1-ium-1-ylethyl decanoate bromide Openeye Name: 1-pyridin-1-ium-1-ylethyl decanoate bromide CAS Name: decanoic acid 1-(1-pyridin-1-iumyl)ethyl ester bromide IUPAC Name: 1-pyridin-1-ium-1-ylethyl decanoate bromide Traditional Name: capric acid 1-pyridin-1-ium-1-ylethyl ester bromide Formula: C17H28BrNO2 MolecularWeight: 358.31372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28NO2.BrH/c1-3-4-5-6-7-8-10-13-17(19)20-16(2)18-14-11-9-12-15-18;/h9,11-12,14-16H,3-8,10,13H2,1-2H3;1H/q+1;/p-1