[1-methyl-3-oxidanidyl-3-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 5-iodanylpyridine-3-carboxylate

Systemtic Name: [1-methyl-3-oxidanidyl-3-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 5-iodanylpyridine-3-carboxylate Openeye Name: [3-(5-allyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 5-iodopyridine-3-carboxylate CAS Name: 5-iodo-3-pyridinecarboxylic acid [1-methyl-3-oxido-3-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-methyl-3-oxido-3-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)imidazolidin-3-ium-4-yl] 5-iodopyridine-3-carboxylate Traditional Name: 5-iodonicotinic acid [3-(5-allyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C15H16IN5O3S MolecularWeight: 473.28871

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16IN5O3S/c1-3-4-12-18-19-15(25-12)21(23)9-20(2)8-13(21)24-14(22)10-5-11(16)7-17-6-10/h3,5-7,13H,1,4,8-9H2,2H3