methyl 6-(piperidin-1-ium-4-ylmethylamino)pyridine-3-carboxylate

Systemtic Name: methyl 6-(piperidin-1-ium-4-ylmethylamino)pyridine-3-carboxylate Openeye Name: methyl 6-(piperidin-1-ium-4-ylmethylamino)pyridine-3-carboxylate CAS Name: 6-(4-piperidin-1-iumylmethylamino)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-(piperidin-1-ium-4-ylmethylamino)pyridine-3-carboxylate Traditional Name: 6-(piperidin-1-ium-4-ylmethylamino)nicotinic acid methyl ester Formula: C13H20N3O2+ MolecularWeight: 250.3168

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)NCC2CC[NH2+]CC2

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)NCC2CC[NH2+]CC2

InChI

InChI=1S/C13H19N3O2/c1-18-13(17)11-2-3-12(16-9-11)15-8-10-4-6-14-7-5-10/h2-3,9-10,14H,4-8H2,1H3,(H,15,16)/p+1