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

Systemtic Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] pyridine-3-carboxylate Openeye Name: [3-(5-tert-butyl-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-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O3S/c1-16(2,3)14-18-19-15(25-14)21(23)10-20(4)9-12(21)24-13(22)11-6-5-7-17-8-11/h5-8,12H,9-10H2,1-4H3