1-pyridin-1-ium-1-ylethyl octanoate chloride

Systemtic Name: 1-pyridin-1-ium-1-ylethyl octanoate chloride Openeye Name: 1-pyridin-1-ium-1-ylethyl octanoate chloride CAS Name: octanoic acid 1-(1-pyridin-1-iumyl)ethyl ester chloride IUPAC Name: 1-pyridin-1-ium-1-ylethyl octanoate chloride Traditional Name: caprylic acid 1-pyridin-1-ium-1-ylethyl ester chloride Formula: C15H24ClNO2 MolecularWeight: 285.80956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24NO2.ClH/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