[3-(5-ethoxypent-4-ynyl)-1-oxidanidyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-yl] ethanoate

Systemtic Name: [3-(5-ethoxypent-4-ynyl)-1-oxidanidyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-yl] ethanoate Openeye Name: [3-(5-ethoxypent-4-ynyl)-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-yl] acetate CAS Name: acetic acid [3-(5-ethoxypent-4-ynyl)-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-2-imidazolidin-1-iumyl] ester IUPAC Name: [3-(5-ethoxypent-4-ynyl)-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-yl] acetate Traditional Name: acetic acid [3-(5-ethoxypent-4-ynyl)-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-yl] ester Formula: C15H19F3N4O4S MolecularWeight: 408.39597

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Descriptors Computed from Structure

Canonical SMILES:

CCOC#CCCCN1CC[N+](C1OC(=O)C)(C2=NN=C(S2)C(F)(F)F)[O-]

Isomeric SMILES

CCOC#CCCCN1CC[N+](C1OC(=O)C)(C2=NN=C(S2)C(F)(F)F)[O-]

InChI

InChI=1S/C15H19F3N4O4S/c1-3-25-10-6-4-5-7-21-8-9-22(24,14(21)26-11(2)23)13-20-19-12(27-13)15(16,17)18/h14H,3-5,7-9H2,1-2H3