[3-oxidanidyl-3-[5-(trichloromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] cyclobutanecarboxylate

Systemtic Name: [3-oxidanidyl-3-[5-(trichloromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] cyclobutanecarboxylate Openeye Name: [3-oxido-3-[5-(trichloromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] cyclobutanecarboxylate CAS Name: cyclobutanecarboxylic acid [3-oxido-3-[5-(trichloromethyl)-1,3,4-thiadiazol-2-yl]-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-oxido-3-[5-(trichloromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] cyclobutanecarboxylate Traditional Name: cyclobutanecarboxylic acid [3-oxido-3-[5-(trichloromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] ester Formula: C11H13Cl3N4O3S MolecularWeight: 387.66992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)OC2CNC[N+]2(C3=NN=C(S3)C(Cl)(Cl)Cl)[O-]

Isomeric SMILES

C1CC(C1)C(=O)OC2CNC[N+]2(C3=NN=C(S3)C(Cl)(Cl)Cl)[O-]

InChI

InChI=1S/C11H13Cl3N4O3S/c12-11(13,14)9-16-17-10(22-9)18(20)5-15-4-7(18)21-8(19)6-2-1-3-6/h6-7,15H,1-5H2