4-(2-octanoyloxyethyl)pyridine-3-carboxylate bromide

Systemtic Name: 4-(2-octanoyloxyethyl)pyridine-3-carboxylate bromide Openeye Name: 4-(2-octanoyloxyethyl)pyridine-3-carboxylate bromide CAS Name: 4-[2-(1-oxooctoxy)ethyl]-3-pyridinecarboxylate bromide IUPAC Name: 4-(2-octanoyloxyethyl)pyridine-3-carboxylate bromide Traditional Name: 4-(2-caprylyloxyethyl)nicotinate bromide Formula: C16H22BrNO4-2 MolecularWeight: 372.25418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCCC1=C(C=NC=C1)C(=O)[O-].[Br-]

Isomeric SMILES

CCCCCCCC(=O)OCCC1=C(C=NC=C1)C(=O)[O-].[Br-]

InChI

InChI=1S/C16H23NO4.BrH/c1-2-3-4-5-6-7-15(18)21-11-9-13-8-10-17-12-14(13)16(19)20;/h8,10,12H,2-7,9,11H2,1H3,(H,19,20);1H/p-2