3-(5-cyano-4-methyl-2-oxidanyl-6-oxidanylidene-1H-pyridin-3-yl)propoxysulfonyl-cyclohexyl-azanium chloride

Systemtic Name: 3-(5-cyano-4-methyl-2-oxidanyl-6-oxidanylidene-1H-pyridin-3-yl)propoxysulfonyl-cyclohexyl-azanium chloride Openeye Name: 3-(5-cyano-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)propoxysulfonyl-cyclohexyl-ammonium chloride CAS Name: 3-(5-cyano-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)propoxysulfonyl-cyclohexylammonium chloride IUPAC Name: 3-(5-cyano-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)propoxysulfonyl-cyclohexylazanium chloride Traditional Name: 3-(5-cyano-2-hydroxy-6-keto-4-methyl-1H-pyridin-3-yl)propoxysulfonyl-cyclohexyl-ammonium chloride Formula: C16H24ClN3O5S MolecularWeight: 405.89686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCCOS(=O)(=O)[NH2+]C2CCCCC2)O)C#N.[Cl-]

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCCOS(=O)(=O)[NH2+]C2CCCCC2)O)C#N.[Cl-]

InChI

InChI=1S/C16H23N3O5S.ClH/c1-11-13(15(20)18-16(21)14(11)10-17)8-5-9-24-25(22,23)19-12-6-3-2-4-7-12;/h12,19H,2-9H2,1H3,(H2,18,20,21);1H