methyl 5-bromanyl-6-oxidanylidene-1-(2-piperidin-1-ium-1-ylethyl)pyridine-3-carboxylate

Systemtic Name: methyl 5-bromanyl-6-oxidanylidene-1-(2-piperidin-1-ium-1-ylethyl)pyridine-3-carboxylate Openeye Name: methyl 5-bromo-6-oxo-1-(2-piperidin-1-ium-1-ylethyl)pyridine-3-carboxylate CAS Name: 5-bromo-6-oxo-1-[2-(1-piperidin-1-iumyl)ethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-bromo-6-oxo-1-(2-piperidin-1-ium-1-ylethyl)pyridine-3-carboxylate Traditional Name: 5-bromo-6-keto-1-(2-piperidin-1-ium-1-ylethyl)nicotinic acid methyl ester Formula: C14H20BrN2O3+ MolecularWeight: 344.2242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C(=C1)Br)CC[NH+]2CCCCC2

Isomeric SMILES

COC(=O)C1=CN(C(=O)C(=C1)Br)CC[NH+]2CCCCC2

InChI

InChI=1S/C14H19BrN2O3/c1-20-14(19)11-9-12(15)13(18)17(10-11)8-7-16-5-3-2-4-6-16/h9-10H,2-8H2,1H3/p+1