2-(3-methyl-2-phenyl-imidazol-3-ium-1-yl)ethanal bromide

Systemtic Name: 2-(3-methyl-2-phenyl-imidazol-3-ium-1-yl)ethanal bromide Openeye Name: 2-(3-methyl-2-phenyl-imidazol-3-ium-1-yl)acetaldehyde bromide CAS Name: 2-(3-methyl-2-phenyl-1-imidazol-3-iumyl)acetaldehyde bromide IUPAC Name: 2-(3-methyl-2-phenylimidazol-3-ium-1-yl)acetaldehyde bromide Traditional Name: 2-(3-methyl-2-phenyl-imidazol-3-ium-1-yl)acetaldehyde bromide Formula: C12H13BrN2O MolecularWeight: 281.14842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C=C1)CC=O)C2=CC=CC=C2.[Br-]

Isomeric SMILES

C[N+]1=C(N(C=C1)CC=O)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C12H13N2O.BrH/c1-13-7-8-14(9-10-15)12(13)11-5-3-2-4-6-11;/h2-8,10H,9H2,1H3;1H/q+1;/p-1