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

Systemtic Name: 2-methyloxane; [3-methyl-1-oxidanidyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-yl] ethanoate Openeye Name: [3-methyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-yl] acetate; 2-methyltetrahydropyran CAS Name: acetic acid [3-methyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-2-imidazolidin-1-iumyl] ester; 2-methyloxane IUPAC Name: 2-methyloxane; [3-methyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-yl] acetate Traditional Name: acetic acid [3-methyl-1-oxido-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-1-ium-2-yl] ester; 2-methyltetrahydropyran Formula: C15H23F3N4O4S MolecularWeight: 412.42773

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCO1.CC(=O)OC1N(CC[N+]1(C2=NN=C(S2)C(F)(F)F)[O-])C

Isomeric SMILES

CC1CCCCO1.CC(=O)OC1N(CC[N+]1(C2=NN=C(S2)C(F)(F)F)[O-])C

InChI

InChI=1S/C9H11F3N4O3S.C6H12O/c1-5(17)19-8-15(2)3-4-16(8,18)7-14-13-6(20-7)9(10,11)12;1-6-4-2-3-5-7-6/h8H,3-4H2,1-2H3;6H,2-5H2,1H3