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

Systemtic Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,5-dimethyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] ethanoate Openeye Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,5-dimethyl-3-oxido-imidazolidin-3-ium-4-yl] acetate CAS Name: acetic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,5-dimethyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,5-dimethyl-3-oxidoimidazolidin-3-ium-4-yl] acetate Traditional Name: acetic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,5-dimethyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C13H22N4O3S MolecularWeight: 314.40378

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Descriptors Computed from Structure

Canonical SMILES:

CC1C([N+](CN1C)(C2=NN=C(S2)C(C)(C)C)[O-])OC(=O)C

Isomeric SMILES

CC1C([N+](CN1C)(C2=NN=C(S2)C(C)(C)C)[O-])OC(=O)C

InChI

InChI=1S/C13H22N4O3S/c1-8-10(20-9(2)18)17(19,7-16(8)6)12-15-14-11(21-12)13(3,4)5/h8,10H,7H2,1-6H3