2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-naphthalen-2-yl-ethanone bromide

Systemtic Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-naphthalen-2-yl-ethanone bromide Openeye Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-(2-naphthyl)ethanone bromide CAS Name: 2-(4,5-dimethyl-3-thiazol-3-iumyl)-1-(2-naphthalenyl)ethanone bromide IUPAC Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-naphthalen-2-ylethanone bromide Traditional Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-(2-naphthyl)ethanone bromide Formula: C17H16BrNOS MolecularWeight: 362.28404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)C2=CC3=CC=CC=C3C=C2)C.[Br-]

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)C2=CC3=CC=CC=C3C=C2)C.[Br-]

InChI

InChI=1S/C17H16NOS.BrH/c1-12-13(2)20-11-18(12)10-17(19)16-8-7-14-5-3-4-6-15(14)9-16;/h3-9,11H,10H2,1-2H3;1H/q+1;/p-1