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

Systemtic Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] propanoate Openeye Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] propanoate CAS Name: propanoic 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] propanoate Traditional Name: propionic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C13H22N4O3S MolecularWeight: 314.40378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N4O3S/c1-6-10(18)20-9-7-16(5)8-17(9,19)12-15-14-11(21-12)13(2,3)4/h9H,6-8H2,1-5H3