ethyl (3S)-1-[[4-(dimethylsulfamoyl)-3,5-dimethyl-pyrazol-1-yl]methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[4-(dimethylsulfamoyl)-3,5-dimethyl-pyrazol-1-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[4-(dimethylsulfamoyl)-3,5-dimethyl-pyrazol-1-yl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[4-(dimethylsulfamoyl)-3,5-dimethyl-1-pyrazolyl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[[4-(dimethylsulfamoyl)-3,5-dimethyl-pyrazol-1-yl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C16H29N4O4S+ MolecularWeight: 373.49086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CN2C(=C(C(=N2)C)S(=O)(=O)N(C)C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CN2C(=C(C(=N2)C)S(=O)(=O)N(C)C)C

InChI

InChI=1S/C16H28N4O4S/c1-6-24-16(21)14-8-7-9-19(10-14)11-20-13(3)15(12(2)17-20)25(22,23)18(4)5/h14H,6-11H2,1-5H3/p+1/t14-/m0/s1