ethyl (3S)-1-[[5-(dimethylsulfamoyl)-2-oxidanylidene-pyridin-1-yl]methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[5-(dimethylsulfamoyl)-2-oxidanylidene-pyridin-1-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridyl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[5-(dimethylsulfamoyl)-2-oxopyridin-1-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[[5-(dimethylsulfamoyl)-2-keto-1-pyridyl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C16H26N3O5S+ MolecularWeight: 372.45974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CN2C=C(C=CC2=O)S(=O)(=O)N(C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CN2C=C(C=CC2=O)S(=O)(=O)N(C)C

InChI

InChI=1S/C16H25N3O5S/c1-4-24-16(21)13-6-5-9-18(10-13)12-19-11-14(7-8-15(19)20)25(22,23)17(2)3/h7-8,11,13H,4-6,9-10,12H2,1-3H3/p+1/t13-/m0/s1