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

Systemtic Name: [3-(5-bromanyl-1,3-thiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-(3,4-dichlorophenyl)propanoate Openeye Name: [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 3-(3,4-dichlorophenyl)propanoate CAS Name: 3-(3,4-dichlorophenyl)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] 3-(3,4-dichlorophenyl)propanoate Traditional Name: 3-(3,4-dichlorophenyl)propionic acid [3-(5-bromothiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C16H16BrCl2N3O3S MolecularWeight: 481.19154

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC([N+](C1)(C2=NC=C(S2)Br)[O-])OC(=O)CCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CN1CC([N+](C1)(C2=NC=C(S2)Br)[O-])OC(=O)CCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H16BrCl2N3O3S/c1-21-8-14(22(24,9-21)16-20-7-13(17)26-16)25-15(23)5-3-10-2-4-11(18)12(19)6-10/h2,4,6-7,14H,3,5,8-9H2,1H3