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

Systemtic Name: 3-(1-cyclohexylethylsulfonylamino)-6-methyl-1-methylidene-2-oxidanylidene-pyridin-1-ium-4-carboxylic acid Openeye Name: 3-(1-cyclohexylethylsulfonylamino)-6-methyl-1-methylene-2-oxo-pyridin-1-ium-4-carboxylic acid CAS Name: 3-(1-cyclohexylethylsulfonylamino)-6-methyl-1-methylene-2-oxo-4-pyridin-1-iumcarboxylic acid IUPAC Name: 3-(1-cyclohexylethylsulfonylamino)-6-methyl-1-methylidene-2-oxopyridin-1-ium-4-carboxylic acid Traditional Name: 3-(1-cyclohexylethylsulfonylamino)-2-keto-6-methyl-1-methylene-pyridin-1-ium-4-carboxylic acid Formula: C16H23N2O5S+ MolecularWeight: 355.42922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)[N+]1=C)NS(=O)(=O)C(C)C2CCCCC2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C(=O)[N+]1=C)NS(=O)(=O)C(C)C2CCCCC2)C(=O)O

InChI

InChI=1S/C16H22N2O5S/c1-10-9-13(16(20)21)14(15(19)18(10)3)17-24(22,23)11(2)12-7-5-4-6-8-12/h9,11-12,17H,3-8H2,1-2H3/p+1