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

Systemtic Name: [3-(5-bromanyl-1,3-thiazol-2-yl)-1-ethyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] propanoate Openeye Name: [3-(5-bromothiazol-2-yl)-1-ethyl-3-oxido-imidazolidin-3-ium-4-yl] propanoate CAS Name: propanoic acid [3-(5-bromo-2-thiazolyl)-1-ethyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-bromo-1,3-thiazol-2-yl)-1-ethyl-3-oxidoimidazolidin-3-ium-4-yl] propanoate Traditional Name: propionic acid [3-(5-bromothiazol-2-yl)-1-ethyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C11H16BrN3O3S MolecularWeight: 350.23204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16BrN3O3S/c1-3-10(16)18-9-6-14(4-2)7-15(9,17)11-13-5-8(12)19-11/h5,9H,3-4,6-7H2,1-2H3