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

Systemtic Name: [1-methyl-3-oxidanidyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] butanoate Openeye Name: [1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] butanoate CAS Name: butanoic 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] butanoate Traditional Name: butyric acid [1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] ester Formula: C11H15F3N4O3S MolecularWeight: 340.32201

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1CN(C[N+]1(C2=NN=C(S2)C(F)(F)F)[O-])C

Isomeric SMILES

CCCC(=O)OC1CN(C[N+]1(C2=NN=C(S2)C(F)(F)F)[O-])C

InChI

InChI=1S/C11H15F3N4O3S/c1-3-4-8(19)21-7-5-17(2)6-18(7,20)10-16-15-9(22-10)11(12,13)14/h7H,3-6H2,1-2H3