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

Systemtic Name: [3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1-oxidanidyl-imidazolidin-1-ium-2-yl] 2-propoxyethanoate Openeye Name: [3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1-oxido-imidazolidin-1-ium-2-yl] 2-propoxyacetate CAS Name: 2-propoxyacetic acid [3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1-oxido-2-imidazolidin-1-iumyl] ester IUPAC Name: [3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1-oxidoimidazolidin-1-ium-2-yl] 2-propoxyacetate Traditional Name: 2-propoxyacetic acid [3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1-oxido-imidazolidin-1-ium-2-yl] ester Formula: C12H20N4O4S MolecularWeight: 316.3766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N4O4S/c1-4-7-19-8-10(17)20-12-15(3)5-6-16(12,18)11-14-13-9(2)21-11/h12H,4-8H2,1-3H3