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

Systemtic Name: [3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1-oxidanidyl-imidazolidin-1-ium-2-yl] 2-butoxyethanoate Openeye Name: [3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1-oxido-imidazolidin-1-ium-2-yl] 2-butoxyacetate CAS Name: 2-butoxyacetic 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-butoxyacetate Traditional Name: 2-butoxyacetic acid [3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1-oxido-imidazolidin-1-ium-2-yl] ester Formula: C13H22N4O4S MolecularWeight: 330.40318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N4O4S/c1-4-5-8-20-9-11(18)21-13-16(3)6-7-17(13,19)12-15-14-10(2)22-12/h13H,4-9H2,1-3H3