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

Systemtic Name: 4-(2-tetradecanoyloxyethyl)pyridine-3-carboxylate bromide Openeye Name: 4-(2-tetradecanoyloxyethyl)pyridine-3-carboxylate bromide CAS Name: 4-[2-(1-oxotetradecoxy)ethyl]-3-pyridinecarboxylate bromide IUPAC Name: 4-(2-tetradecanoyloxyethyl)pyridine-3-carboxylate bromide Traditional Name: 4-(2-tetradecanoyloxyethyl)nicotinate bromide Formula: C22H34BrNO4-2 MolecularWeight: 456.41366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35NO4.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-21(24)27-17-15-19-14-16-23-18-20(19)22(25)26;/h14,16,18H,2-13,15,17H2,1H3,(H,25,26);1H/p-2