3-(5-bromanyl-1,3-thiazol-2-yl)-1-(3-ethylpent-1-yn-3-yl)-3-oxidanidyl-imidazolidin-3-ium-4-ol

Systemtic Name: 3-(5-bromanyl-1,3-thiazol-2-yl)-1-(3-ethylpent-1-yn-3-yl)-3-oxidanidyl-imidazolidin-3-ium-4-ol Openeye Name: 3-(5-bromothiazol-2-yl)-1-(1,1-diethylprop-2-ynyl)-3-oxido-imidazolidin-3-ium-4-ol CAS Name: 3-(5-bromo-2-thiazolyl)-1-(3-ethylpent-1-yn-3-yl)-3-oxido-4-imidazolidin-3-iumol IUPAC Name: 3-(5-bromo-1,3-thiazol-2-yl)-1-(3-ethylpent-1-yn-3-yl)-3-oxidoimidazolidin-3-ium-4-ol Traditional Name: 3-(5-bromothiazol-2-yl)-1-(1,1-diethylprop-2-ynyl)-3-oxido-imidazolidin-3-ium-4-ol Formula: C13H18BrN3O2S MolecularWeight: 360.26992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)N1CC([N+](C1)(C2=NC=C(S2)Br)[O-])O

Isomeric SMILES

CCC(CC)(C#C)N1CC([N+](C1)(C2=NC=C(S2)Br)[O-])O

InChI

InChI=1S/C13H18BrN3O2S/c1-4-13(5-2,6-3)16-8-11(18)17(19,9-16)12-15-7-10(14)20-12/h1,7,11,18H,5-6,8-9H2,2-3H3