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

Systemtic Name: methyl 6-oxidanylidene-1-(2-piperidin-1-ium-1-ylethyl)pyridine-3-carboxylate Openeye Name: methyl 6-oxo-1-(2-piperidin-1-ium-1-ylethyl)pyridine-3-carboxylate CAS Name: 6-oxo-1-[2-(1-piperidin-1-iumyl)ethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-oxo-1-(2-piperidin-1-ium-1-ylethyl)pyridine-3-carboxylate Traditional Name: 6-keto-1-(2-piperidin-1-ium-1-ylethyl)nicotinic acid methyl ester Formula: C14H21N2O3+ MolecularWeight: 265.32814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3/c1-19-14(18)12-5-6-13(17)16(11-12)10-9-15-7-3-2-4-8-15/h5-6,11H,2-4,7-10H2,1H3/p+1