[3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] pyridine-3-carboxylate

Systemtic Name: [3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] pyridine-3-carboxylate Openeye Name: [3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [3-(5-butylsulfonyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C16H21N5O5S2 MolecularWeight: 427.49844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)C3=CN=CC=C3)C)[O-]

Isomeric SMILES

CCCCS(=O)(=O)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)C3=CN=CC=C3)C)[O-]

InChI

InChI=1S/C16H21N5O5S2/c1-3-4-8-28(24,25)16-19-18-15(27-16)21(23)11-20(2)10-13(21)26-14(22)12-6-5-7-17-9-12/h5-7,9,13H,3-4,8,10-11H2,1-2H3