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

Systemtic Name: 5-ethylsulfonyl-2,6-dimethyl-4-(1-oxidanidylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-ethylsulfonyl-2,6-dimethyl-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-ethylsulfonyl-2,6-dimethyl-4-(1-oxido-3-pyridin-1-iumyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-ethylsulfonyl-2,6-dimethyl-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-esyl-2,6-dimethyl-4-(1-oxidopyridin-1-ium-3-yl)-1,4-dihydropyridine-3-carboxylic acid Formula: C15H18N2O5S MolecularWeight: 338.37882

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(NC(=C(C1C2=C[N+](=CC=C2)[O-])C(=O)O)C)C

Isomeric SMILES

CCS(=O)(=O)C1=C(NC(=C(C1C2=C[N+](=CC=C2)[O-])C(=O)O)C)C

InChI

InChI=1S/C15H18N2O5S/c1-4-23(21,22)14-10(3)16-9(2)12(15(18)19)13(14)11-6-5-7-17(20)8-11/h5-8,13,16H,4H2,1-3H3,(H,18,19)