[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] ethanoate

Systemtic Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] ethanoate Openeye Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] acetate CAS Name: acetic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] acetate Traditional Name: acetic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C12H20N4O3S MolecularWeight: 300.3772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N4O3S/c1-8(17)19-9-6-15(5)7-16(9,18)11-14-13-10(20-11)12(2,3)4/h9H,6-7H2,1-5H3