ethyl 1-[[5-(dimethylsulfamoyl)-2-sulfanylidene-pyridin-1-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[5-(dimethylsulfamoyl)-2-sulfanylidene-pyridin-1-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[5-(dimethylsulfamoyl)-2-thioxo-1-pyridyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[5-(dimethylsulfamoyl)-2-sulfanylidene-1-pyridinyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(dimethylsulfamoyl)-2-sulfanylidenepyridin-1-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[5-(dimethylsulfamoyl)-2-thioxo-1-pyridyl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C16H26N3O4S2+ MolecularWeight: 388.52534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C=C(C=CC2=S)S(=O)(=O)N(C)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C=C(C=CC2=S)S(=O)(=O)N(C)C

InChI

InChI=1S/C16H25N3O4S2/c1-4-23-16(20)13-7-9-18(10-8-13)12-19-11-14(5-6-15(19)24)25(21,22)17(2)3/h5-6,11,13H,4,7-10,12H2,1-3H3/p+1