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

Systemtic Name: 2,6-dimethyl-4-(2-methylsulfanyl-1-oxidanidyl-pyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2,6-dimethyl-4-(2-methylsulfanyl-1-oxido-pyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2,6-dimethyl-4-[2-(methylthio)-1-oxido-3-pyridin-1-iumyl]-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2,6-dimethyl-4-(2-methylsulfanyl-1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2,6-dimethyl-4-[2-(methylthio)-1-oxido-pyridin-1-ium-3-yl]-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O5S/c1-7-10(14(18)19)12(11(15(20)21)8(2)16-7)9-5-4-6-17(22)13(9)23-3/h4-6,12,16H,1-3H3,(H,18,19)(H,20,21)