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

Systemtic Name: [3-methyl-1-oxidanidyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-yl] 3-hexylbenzoate Openeye Name: [3-methyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-yl] 3-hexylbenzoate CAS Name: 3-hexylbenzoic acid [3-methyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-2-imidazolidin-1-iumyl] ester IUPAC Name: [3-methyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-yl] 3-hexylbenzoate Traditional Name: 3-hexylbenzoic acid [3-methyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-yl] ester Formula: C20H25F3N4O3S MolecularWeight: 458.49771

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=CC(=C1)C(=O)OC2N(CC[N+]2(C3=NN=C(S3)C(F)(F)F)[O-])C

Isomeric SMILES

CCCCCCC1=CC=CC(=C1)C(=O)OC2N(CC[N+]2(C3=NN=C(S3)C(F)(F)F)[O-])C

InChI

InChI=1S/C20H25F3N4O3S/c1-3-4-5-6-8-14-9-7-10-15(13-14)16(28)30-19-26(2)11-12-27(19,29)18-25-24-17(31-18)20(21,22)23/h7,9-10,13,19H,3-6,8,11-12H2,1-2H3