2,6-dimethyl-5-methylsulfonyl-4-(1-oxidanidylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-5-methylsulfonyl-4-(1-oxidanidylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2,6-dimethyl-5-methylsulfonyl-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2,6-dimethyl-5-methylsulfonyl-4-(1-oxido-3-pyridin-1-iumyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2,6-dimethyl-5-methylsulfonyl-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-mesyl-2,6-dimethyl-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3-carboxylic acid Formula: C14H16N2O5S MolecularWeight: 324.35224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O5S/c1-8-11(14(17)18)12(10-5-4-6-16(19)7-10)13(9(2)15-8)22(3,20)21/h4-7,12,15H,1-3H3,(H,17,18)