2-[4-methyl-5-(6-oxidanylhexyl)-1,3-thiazol-3-ium-3-yl]-1-(3-phenyl-1,2-oxazol-5-yl)ethanone bromide

Systemtic Name: 2-[4-methyl-5-(6-oxidanylhexyl)-1,3-thiazol-3-ium-3-yl]-1-(3-phenyl-1,2-oxazol-5-yl)ethanone bromide Openeye Name: 2-[5-(6-hydroxyhexyl)-4-methyl-thiazol-3-ium-3-yl]-1-(3-phenylisoxazol-5-yl)ethanone bromide CAS Name: 2-[5-(6-hydroxyhexyl)-4-methyl-3-thiazol-3-iumyl]-1-(3-phenyl-5-isoxazolyl)ethanone bromide IUPAC Name: 2-[5-(6-hydroxyhexyl)-4-methyl-1,3-thiazol-3-ium-3-yl]-1-(3-phenyl-1,2-oxazol-5-yl)ethanone bromide Traditional Name: 2-[5-(6-hydroxyhexyl)-4-methyl-thiazol-3-ium-3-yl]-1-(3-phenylisoxazol-5-yl)ethanone bromide Formula: C21H25BrN2O3S MolecularWeight: 465.4038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)C2=CC(=NO2)C3=CC=CC=C3)CCCCCCO.[Br-]

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)C2=CC(=NO2)C3=CC=CC=C3)CCCCCCO.[Br-]

InChI

InChI=1S/C21H25N2O3S.BrH/c1-16-21(11-7-2-3-8-12-24)27-15-23(16)14-19(25)20-13-18(22-26-20)17-9-5-4-6-10-17;/h4-6,9-10,13,15,24H,2-3,7-8,11-12,14H2,1H3;1H/q+1;/p-1