[1-(5-bromanyl-1,3-thiazol-2-yl)-1-oxidanidyl-imidazolidin-1-ium-2-yl] 2,6-bis(bromanyl)hexanoate

Systemtic Name: [1-(5-bromanyl-1,3-thiazol-2-yl)-1-oxidanidyl-imidazolidin-1-ium-2-yl] 2,6-bis(bromanyl)hexanoate Openeye Name: [1-(5-bromothiazol-2-yl)-1-oxido-imidazolidin-1-ium-2-yl] 2,6-dibromohexanoate CAS Name: 2,6-dibromohexanoic acid [1-(5-bromo-2-thiazolyl)-1-oxido-2-imidazolidin-1-iumyl] ester IUPAC Name: [1-(5-bromo-1,3-thiazol-2-yl)-1-oxidoimidazolidin-1-ium-2-yl] 2,6-dibromohexanoate Traditional Name: 2,6-dibromohexanoic acid [1-(5-bromothiazol-2-yl)-1-oxido-imidazolidin-1-ium-2-yl] ester Formula: C12H16Br3N3O3S MolecularWeight: 522.05074

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](C(N1)OC(=O)C(CCCCBr)Br)(C2=NC=C(S2)Br)[O-]

Isomeric SMILES

C1C[N+](C(N1)OC(=O)C(CCCCBr)Br)(C2=NC=C(S2)Br)[O-]

InChI

InChI=1S/C12H16Br3N3O3S/c13-4-2-1-3-8(14)10(19)21-11-16-5-6-18(11,20)12-17-7-9(15)22-12/h7-8,11,16H,1-6H2