6-methyl-1-methylidene-2-oxidanylidene-3-(pentylsulfonylamino)pyridin-1-ium-4-carboxylic acid

Systemtic Name: 6-methyl-1-methylidene-2-oxidanylidene-3-(pentylsulfonylamino)pyridin-1-ium-4-carboxylic acid Openeye Name: 6-methyl-1-methylene-2-oxo-3-(pentylsulfonylamino)pyridin-1-ium-4-carboxylic acid CAS Name: 6-methyl-1-methylene-2-oxo-3-(pentylsulfonylamino)-4-pyridin-1-iumcarboxylic acid IUPAC Name: 6-methyl-1-methylidene-2-oxo-3-(pentylsulfonylamino)pyridin-1-ium-4-carboxylic acid Traditional Name: 3-(amylsulfonylamino)-2-keto-6-methyl-1-methylene-pyridin-1-ium-4-carboxylic acid Formula: C13H19N2O5S+ MolecularWeight: 315.36536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)NC1=C(C=C([N+](=C)C1=O)C)C(=O)O

Isomeric SMILES

CCCCCS(=O)(=O)NC1=C(C=C([N+](=C)C1=O)C)C(=O)O

InChI

InChI=1S/C13H18N2O5S/c1-4-5-6-7-21(19,20)14-11-10(13(17)18)8-9(2)15(3)12(11)16/h8,14H,3-7H2,1-2H3/p+1