ethyl 4-(5-sulfamoylpyridin-1-ium-2-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(5-sulfamoylpyridin-1-ium-2-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(5-sulfamoylpyridin-1-ium-2-yl)piperazine-1-carboxylate CAS Name: 4-(5-sulfamoyl-2-pyridin-1-iumyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-sulfamoylpyridin-1-ium-2-yl)piperazine-1-carboxylate Traditional Name: 4-(5-sulfamoylpyridin-1-ium-2-yl)piperazine-1-carboxylic acid ethyl ester Formula: C12H19N4O4S+ MolecularWeight: 315.36866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=[NH+]C=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=[NH+]C=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C12H18N4O4S/c1-2-20-12(17)16-7-5-15(6-8-16)11-4-3-10(9-14-11)21(13,18)19/h3-4,9H,2,5-8H2,1H3,(H2,13,18,19)/p+1