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

Systemtic Name: [1-(5-bromanyl-1,3-thiazol-2-yl)-3-methyl-1-oxidanidyl-imidazolidin-1-ium-2-yl] ethanoate Openeye Name: [1-(5-bromothiazol-2-yl)-3-methyl-1-oxido-imidazolidin-1-ium-2-yl] acetate CAS Name: acetic 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] acetate Traditional Name: acetic acid [1-(5-bromothiazol-2-yl)-3-methyl-1-oxido-imidazolidin-1-ium-2-yl] ester Formula: C9H12BrN3O3S MolecularWeight: 322.17888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12BrN3O3S/c1-6(14)16-9-12(2)3-4-13(9,15)8-11-5-7(10)17-8/h5,9H,3-4H2,1-2H3