1-(furan-2-yl)-2-[4-(2-oxidanylpentyl)-1,3-thiazol-3-ium-3-yl]ethanone bromide

Systemtic Name: 1-(furan-2-yl)-2-[4-(2-oxidanylpentyl)-1,3-thiazol-3-ium-3-yl]ethanone bromide Openeye Name: 1-(2-furyl)-2-[4-(2-hydroxypentyl)thiazol-3-ium-3-yl]ethanone bromide CAS Name: 1-(2-furanyl)-2-[4-(2-hydroxypentyl)-3-thiazol-3-iumyl]ethanone bromide IUPAC Name: 1-(furan-2-yl)-2-[4-(2-hydroxypentyl)-1,3-thiazol-3-ium-3-yl]ethanone bromide Traditional Name: 1-(2-furyl)-2-[4-(2-hydroxypentyl)thiazol-3-ium-3-yl]ethanone bromide Formula: C14H18BrNO3S MolecularWeight: 360.26662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CSC=[N+]1CC(=O)C2=CC=CO2)O.[Br-]

Isomeric SMILES

CCCC(CC1=CSC=[N+]1CC(=O)C2=CC=CO2)O.[Br-]

InChI

InChI=1S/C14H18NO3S.BrH/c1-2-4-12(16)7-11-9-19-10-15(11)8-13(17)14-5-3-6-18-14;/h3,5-6,9-10,12,16H,2,4,7-8H2,1H3;1H/q+1;/p-1