methyl 6-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]pyridine-3-carboxylate

Systemtic Name: methyl 6-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]pyridine-3-carboxylate Openeye Name: methyl 6-[(2-morpholinopyridin-1-ium-3-yl)methylamino]pyridine-3-carboxylate CAS Name: 6-[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methylamino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]pyridine-3-carboxylate Traditional Name: 6-[(2-morpholinopyridin-1-ium-3-yl)methylamino]nicotinic acid methyl ester Formula: C17H21N4O3+ MolecularWeight: 329.37364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)NCC2=C([NH+]=CC=C2)N3CCOCC3

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)NCC2=C([NH+]=CC=C2)N3CCOCC3

InChI

InChI=1S/C17H20N4O3/c1-23-17(22)14-4-5-15(20-12-14)19-11-13-3-2-6-18-16(13)21-7-9-24-10-8-21/h2-6,12H,7-11H2,1H3,(H,19,20)/p+1