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

Systemtic Name: 3-(cyclohexylmethylsulfonylamino)-6-methyl-1-methylidene-2-oxidanylidene-pyridin-1-ium-4-carboxylic acid Openeye Name: 3-(cyclohexylmethylsulfonylamino)-6-methyl-1-methylene-2-oxo-pyridin-1-ium-4-carboxylic acid CAS Name: 3-(cyclohexylmethylsulfonylamino)-6-methyl-1-methylene-2-oxo-4-pyridin-1-iumcarboxylic acid IUPAC Name: 3-(cyclohexylmethylsulfonylamino)-6-methyl-1-methylidene-2-oxopyridin-1-ium-4-carboxylic acid Traditional Name: 3-(cyclohexylmethylsulfonylamino)-2-keto-6-methyl-1-methylene-pyridin-1-ium-4-carboxylic acid Formula: C15H21N2O5S+ MolecularWeight: 341.40264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)[N+]1=C)NS(=O)(=O)CC2CCCCC2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C(=O)[N+]1=C)NS(=O)(=O)CC2CCCCC2)C(=O)O

InChI

InChI=1S/C15H20N2O5S/c1-10-8-12(15(19)20)13(14(18)17(10)2)16-23(21,22)9-11-6-4-3-5-7-11/h8,11,16H,2-7,9H2,1H3/p+1