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

Systemtic Name: [3-(5-bromanyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 2-(2,4-dimethylphenoxy)ethanoate Openeye Name: [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 2-(2,4-dimethylphenoxy)acetate CAS Name: 2-(2,4-dimethylphenoxy)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] 2-(2,4-dimethylphenoxy)acetate Traditional Name: 2-(2,4-dimethylphenoxy)acetic acid [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C17H20BrN3O4S MolecularWeight: 442.3274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)OC2CN(C[N+]2(C3=NC=C(S3)Br)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)OC2CN(C[N+]2(C3=NC=C(S3)Br)[O-])C)C

InChI

InChI=1S/C17H20BrN3O4S/c1-11-4-5-13(12(2)6-11)24-9-16(22)25-15-8-20(3)10-21(15,23)17-19-7-14(18)26-17/h4-7,15H,8-10H2,1-3H3