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

Systemtic Name: [1-(5-chloranyl-1,3-thiazol-2-yl)-3-methyl-1-oxidanidyl-imidazolidin-1-ium-2-yl] 2-butoxyethanoate Openeye Name: [1-(5-chlorothiazol-2-yl)-3-methyl-1-oxido-imidazolidin-1-ium-2-yl] 2-butoxyacetate CAS Name: 2-butoxyacetic acid [1-(5-chloro-2-thiazolyl)-3-methyl-1-oxido-2-imidazolidin-1-iumyl] ester IUPAC Name: [1-(5-chloro-1,3-thiazol-2-yl)-3-methyl-1-oxidoimidazolidin-1-ium-2-yl] 2-butoxyacetate Traditional Name: 2-butoxyacetic acid [1-(5-chlorothiazol-2-yl)-3-methyl-1-oxido-imidazolidin-1-ium-2-yl] ester Formula: C13H20ClN3O4S MolecularWeight: 349.8336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20ClN3O4S/c1-3-4-7-20-9-11(18)21-13-16(2)5-6-17(13,19)12-15-8-10(14)22-12/h8,13H,3-7,9H2,1-2H3