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

Systemtic Name: [3-(5-bromanyl-1,3-thiazol-2-yl)-3-oxidanidyl-1-pentyl-imidazolidin-3-ium-4-yl] hexanoate Openeye Name: [3-(5-bromothiazol-2-yl)-3-oxido-1-pentyl-imidazolidin-3-ium-4-yl] hexanoate CAS Name: hexanoic acid [3-(5-bromo-2-thiazolyl)-3-oxido-1-pentyl-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-bromo-1,3-thiazol-2-yl)-3-oxido-1-pentylimidazolidin-3-ium-4-yl] hexanoate Traditional Name: hexanoic acid [1-amyl-3-(5-bromothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C17H28BrN3O3S MolecularWeight: 434.39152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28BrN3O3S/c1-3-5-7-9-16(22)24-15-12-20(10-8-6-4-2)13-21(15,23)17-19-11-14(18)25-17/h11,15H,3-10,12-13H2,1-2H3