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

Systemtic Name: [1-(5-bromanyl-1,3-thiazol-2-yl)-3-methyl-1-oxidanidyl-imidazolidin-1-ium-2-yl] 2-propoxyethanoate Openeye Name: [1-(5-bromothiazol-2-yl)-3-methyl-1-oxido-imidazolidin-1-ium-2-yl] 2-propoxyacetate CAS Name: 2-propoxyacetic acid [1-(5-bromo-2-thiazolyl)-3-methyl-1-oxido-2-imidazolidin-1-iumyl] ester IUPAC Name: [1-(5-bromo-1,3-thiazol-2-yl)-3-methyl-1-oxidoimidazolidin-1-ium-2-yl] 2-propoxyacetate Traditional Name: 2-propoxyacetic acid [1-(5-bromothiazol-2-yl)-3-methyl-1-oxido-imidazolidin-1-ium-2-yl] ester Formula: C12H18BrN3O4S MolecularWeight: 380.25802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18BrN3O4S/c1-3-6-19-8-10(17)20-12-15(2)4-5-16(12,18)11-14-7-9(13)21-11/h7,12H,3-6,8H2,1-2H3