2-(hydroxymethyl)-6-methyl-4-(2-methyl-1-oxidanidyl-pyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2-(hydroxymethyl)-6-methyl-4-(2-methyl-1-oxidanidyl-pyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-(hydroxymethyl)-6-methyl-4-(2-methyl-1-oxido-pyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-(hydroxymethyl)-6-methyl-4-(2-methyl-1-oxido-3-pyridin-1-iumyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-(hydroxymethyl)-6-methyl-4-(2-methyl-1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-methyl-6-methylol-4-(2-methyl-1-oxido-pyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C15H16N2O6 MolecularWeight: 320.29734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CO)C(=O)O)C2=C([N+](=CC=C2)[O-])C)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)CO)C(=O)O)C2=C([N+](=CC=C2)[O-])C)C(=O)O

InChI

InChI=1S/C15H16N2O6/c1-7-11(14(19)20)12(9-4-3-5-17(23)8(9)2)13(15(21)22)10(6-18)16-7/h3-5,12,16,18H,6H2,1-2H3,(H,19,20)(H,21,22)