ethyl 1-methyl-5-(pyridin-1-ium-1-ylcarbonylsulfamoyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-methyl-5-(pyridin-1-ium-1-ylcarbonylsulfamoyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-methyl-5-(pyridin-1-ium-1-carbonylsulfamoyl)pyrazole-4-carboxylate CAS Name: 1-methyl-5-[[oxo(1-pyridin-1-iumyl)methyl]sulfamoyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-5-(pyridin-1-ium-1-carbonylsulfamoyl)pyrazole-4-carboxylate Traditional Name: 1-methyl-5-(pyridin-1-ium-1-carbonylsulfamoyl)pyrazole-4-carboxylic acid ethyl ester Formula: C13H15N4O5S+ MolecularWeight: 339.347

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C)S(=O)(=O)NC(=O)[N+]2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C)S(=O)(=O)NC(=O)[N+]2=CC=CC=C2

InChI

InChI=1S/C13H14N4O5S/c1-3-22-12(18)10-9-14-16(2)11(10)23(20,21)15-13(19)17-7-5-4-6-8-17/h4-9H,3H2,1-2H3/p+1