methyl 4-[(2-morpholin-4-ylpyridin-1-ium-3-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(2-morpholin-4-ylpyridin-1-ium-3-yl)carbonylamino]benzoate Openeye Name: methyl 4-[(2-morpholinopyridin-1-ium-3-carbonyl)amino]benzoate CAS Name: 4-[[[2-(4-morpholinyl)-3-pyridin-1-iumyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-morpholin-4-ylpyridin-1-ium-3-carbonyl)amino]benzoate Traditional Name: 4-[(2-morpholinopyridin-1-ium-3-carbonyl)amino]benzoic acid methyl ester Formula: C18H20N3O4+ MolecularWeight: 342.3691

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4/c1-24-18(23)13-4-6-14(7-5-13)20-17(22)15-3-2-8-19-16(15)21-9-11-25-12-10-21/h2-8H,9-12H2,1H3,(H,20,22)/p+1