[3-(5-bromanyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] ethanoate

Systemtic Name: [3-(5-bromanyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] ethanoate Openeye Name: [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] acetate CAS Name: acetic acid [3-(5-bromo-2-thiazolyl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-bromo-1,3-thiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] acetate Traditional Name: acetic acid [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C9H12BrN3O3S MolecularWeight: 322.17888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CN(C[N+]1(C2=NC=C(S2)Br)[O-])C

Isomeric SMILES

CC(=O)OC1CN(C[N+]1(C2=NC=C(S2)Br)[O-])C

InChI

InChI=1S/C9H12BrN3O3S/c1-6(14)16-8-4-12(2)5-13(8,15)9-11-3-7(10)17-9/h3,8H,4-5H2,1-2H3