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

Systemtic Name: [3-(5-bromanyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(4-chloranylphenoxy)propanoate Openeye Name: [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 2-(4-chlorophenoxy)propanoate CAS Name: 2-(4-chlorophenoxy)propanoic 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] 2-(4-chlorophenoxy)propanoate Traditional Name: 2-(4-chlorophenoxy)propionic acid [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C16H17BrClN3O4S MolecularWeight: 462.74588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1CN(C[N+]1(C2=NC=C(S2)Br)[O-])C)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)OC1CN(C[N+]1(C2=NC=C(S2)Br)[O-])C)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H17BrClN3O4S/c1-10(24-12-5-3-11(18)4-6-12)15(22)25-14-8-20(2)9-21(14,23)16-19-7-13(17)26-16/h3-7,10,14H,8-9H2,1-2H3