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

Systemtic Name: [1-methyl-3-oxidanidyl-3-(5-propylsulfonyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] pyridine-3-carboxylate Openeye Name: [1-methyl-3-oxido-3-(5-propylsulfonyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [1-methyl-3-oxido-3-(5-propylsulfonyl-1,3,4-thiadiazol-2-yl)-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-methyl-3-oxido-3-(5-propylsulfonyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [1-methyl-3-oxido-3-(5-propylsulfonyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] ester Formula: C15H19N5O5S2 MolecularWeight: 413.47186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N5O5S2/c1-3-7-27(23,24)15-18-17-14(26-15)20(22)10-19(2)9-12(20)25-13(21)11-5-4-6-16-8-11/h4-6,8,12H,3,7,9-10H2,1-2H3