4-(1-octanoyloxypropan-2-yl)pyridine-3-carboxylate bromide

Systemtic Name: 4-(1-octanoyloxypropan-2-yl)pyridine-3-carboxylate bromide Openeye Name: 4-(1-methyl-2-octanoyloxy-ethyl)pyridine-3-carboxylate bromide CAS Name: 4-[1-(1-oxooctoxy)propan-2-yl]-3-pyridinecarboxylate bromide IUPAC Name: 4-(1-octanoyloxypropan-2-yl)pyridine-3-carboxylate bromide Traditional Name: 4-(2-caprylyloxy-1-methyl-ethyl)nicotinate bromide Formula: C17H24BrNO4-2 MolecularWeight: 386.28076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO4.BrH/c1-3-4-5-6-7-8-16(19)22-12-13(2)14-9-10-18-11-15(14)17(20)21;/h9-11,13H,3-8,12H2,1-2H3,(H,20,21);1H/p-2