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

Systemtic Name: 4-(1-decanoyloxypropan-2-yl)pyridine-3-carboxylate bromide Openeye Name: 4-(2-decanoyloxy-1-methyl-ethyl)pyridine-3-carboxylate bromide CAS Name: 4-[1-(1-oxodecoxy)propan-2-yl]-3-pyridinecarboxylate bromide IUPAC Name: 4-(1-decanoyloxypropan-2-yl)pyridine-3-carboxylate bromide Traditional Name: 4-(2-capryloxy-1-methyl-ethyl)nicotinate bromide Formula: C19H28BrNO4-2 MolecularWeight: 414.33392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO4.BrH/c1-3-4-5-6-7-8-9-10-18(21)24-14-15(2)16-11-12-20-13-17(16)19(22)23;/h11-13,15H,3-10,14H2,1-2H3,(H,22,23);1H/p-2