[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-1-prop-2-enyl-imidazolidin-3-ium-4-yl] cyclohexanecarboxylate

Systemtic Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-1-prop-2-enyl-imidazolidin-3-ium-4-yl] cyclohexanecarboxylate Openeye Name: [1-allyl-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-prop-2-enyl-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-oxido-1-prop-2-enylimidazolidin-3-ium-4-yl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [1-allyl-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C19H30N4O3S MolecularWeight: 394.5315

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)C3CCCCC3)CC=C)[O-]

Isomeric SMILES

CC(C)(C)C1=NN=C(S1)[N+]2(CN(CC2OC(=O)C3CCCCC3)CC=C)[O-]

InChI

InChI=1S/C19H30N4O3S/c1-5-11-22-12-15(26-16(24)14-9-7-6-8-10-14)23(25,13-22)18-21-20-17(27-18)19(2,3)4/h5,14-15H,1,6-13H2,2-4H3