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

Systemtic Name: [1-methyl-3-oxidanidyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] pyridine-3-carboxylate Openeye Name: [1-methyl-3-oxido-3-[5-(trifluoromethyl)-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-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] ester Formula: C13H12F3N5O3S MolecularWeight: 375.32629

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC([N+](C1)(C2=NN=C(S2)C(F)(F)F)[O-])OC(=O)C3=CN=CC=C3

Isomeric SMILES

CN1CC([N+](C1)(C2=NN=C(S2)C(F)(F)F)[O-])OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C13H12F3N5O3S/c1-20-6-9(24-10(22)8-3-2-4-17-5-8)21(23,7-20)12-19-18-11(25-12)13(14,15)16/h2-5,9H,6-7H2,1H3