methyl 4-[[(6-morpholin-4-ylpyridin-1-ium-3-yl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[(6-morpholin-4-ylpyridin-1-ium-3-yl)carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[(6-morpholinopyridin-1-ium-3-carbonyl)amino]methyl]benzoate CAS Name: 4-[[[[6-(4-morpholinyl)-3-pyridin-1-iumyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(6-morpholin-4-ylpyridin-1-ium-3-carbonyl)amino]methyl]benzoate Traditional Name: 4-[[(6-morpholinopyridin-1-ium-3-carbonyl)amino]methyl]benzoic acid methyl ester Formula: C19H22N3O4+ MolecularWeight: 356.39568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4/c1-25-19(24)15-4-2-14(3-5-15)12-21-18(23)16-6-7-17(20-13-16)22-8-10-26-11-9-22/h2-7,13H,8-12H2,1H3,(H,21,23)/p+1