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

Systemtic Name: [3-oxidanidyl-1-propyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] benzoate Openeye Name: [3-oxido-1-propyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] benzoate CAS Name: benzoic acid [3-oxido-1-propyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-oxido-1-propyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] benzoate Traditional Name: benzoic acid [3-oxido-1-propyl-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl] ester Formula: C16H17F3N4O3S MolecularWeight: 402.39139

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC([N+](C1)(C2=NN=C(S2)C(F)(F)F)[O-])OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCN1CC([N+](C1)(C2=NN=C(S2)C(F)(F)F)[O-])OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H17F3N4O3S/c1-2-8-22-9-12(26-13(24)11-6-4-3-5-7-11)23(25,10-22)15-21-20-14(27-15)16(17,18)19/h3-7,12H,2,8-10H2,1H3