1-(1,3-benzothiazol-3-ium-3-yl)-3-(diethylamino)propan-2-one bromide

Systemtic Name: 1-(1,3-benzothiazol-3-ium-3-yl)-3-(diethylamino)propan-2-one bromide Openeye Name: 1-(1,3-benzothiazol-3-ium-3-yl)-3-(diethylamino)propan-2-one bromide CAS Name: 1-(1,3-benzothiazol-3-ium-3-yl)-3-(diethylamino)-2-propanone bromide IUPAC Name: 1-(1,3-benzothiazol-3-ium-3-yl)-3-(diethylamino)propan-2-one bromide Traditional Name: 1-(1,3-benzothiazol-3-ium-3-yl)-3-(diethylamino)acetone bromide Formula: C14H19BrN2OS MolecularWeight: 343.28246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(=O)C[N+]1=CSC2=CC=CC=C21.[Br-]

Isomeric SMILES

CCN(CC)CC(=O)C[N+]1=CSC2=CC=CC=C21.[Br-]

InChI

InChI=1S/C14H19N2OS.BrH/c1-3-15(4-2)9-12(17)10-16-11-18-14-8-6-5-7-13(14)16;/h5-8,11H,3-4,9-10H2,1-2H3;1H/q+1;/p-1