2,6-dimethyl-1-(2-morpholin-4-ylethyl)-4-(1-oxidanidylpyridin-1-ium-3-yl)-4H-pyridine-3,5-dicarboxylic acid

Systemtic Name: 2,6-dimethyl-1-(2-morpholin-4-ylethyl)-4-(1-oxidanidylpyridin-1-ium-3-yl)-4H-pyridine-3,5-dicarboxylic acid Openeye Name: 2,6-dimethyl-1-(2-morpholinoethyl)-4-(1-oxidopyridin-1-ium-3-yl)-4H-pyridine-3,5-dicarboxylic acid CAS Name: 2,6-dimethyl-1-[2-(4-morpholinyl)ethyl]-4-(1-oxido-3-pyridin-1-iumyl)-4H-pyridine-3,5-dicarboxylic acid IUPAC Name: 2,6-dimethyl-1-(2-morpholin-4-ylethyl)-4-(1-oxidopyridin-1-ium-3-yl)-4H-pyridine-3,5-dicarboxylic acid Traditional Name: 2,6-dimethyl-1-(2-morpholinoethyl)-4-(1-oxidopyridin-1-ium-3-yl)-4H-pyridine-3,5-dicarboxylic acid Formula: C20H25N3O6 MolecularWeight: 403.429

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1CCN2CCOCC2)C)C(=O)O)C3=C[N+](=CC=C3)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1CCN2CCOCC2)C)C(=O)O)C3=C[N+](=CC=C3)[O-])C(=O)O

InChI

InChI=1S/C20H25N3O6/c1-13-16(19(24)25)18(15-4-3-5-22(28)12-15)17(20(26)27)14(2)23(13)7-6-21-8-10-29-11-9-21/h3-5,12,18H,6-11H2,1-2H3,(H,24,25)(H,26,27)