2-[2-(3-methoxyphenyl)-3-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-1-methyl-imidazol-1-ium-4-yl]ethanal bromide

Systemtic Name: 2-[2-(3-methoxyphenyl)-3-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-1-methyl-imidazol-1-ium-4-yl]ethanal bromide Openeye Name: 2-[2-(3-methoxyphenyl)-3-[2-(3-methoxyphenyl)-2-oxo-ethyl]-1-methyl-imidazol-1-ium-4-yl]acetaldehyde bromide CAS Name: 2-[2-(3-methoxyphenyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1-methyl-4-imidazol-1-iumyl]acetaldehyde bromide IUPAC Name: 2-[2-(3-methoxyphenyl)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1-methylimidazol-1-ium-4-yl]acetaldehyde bromide Traditional Name: 2-[3-[2-keto-2-(3-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)-1-methyl-imidazol-1-ium-4-yl]acetaldehyde bromide Formula: C22H23BrN2O4 MolecularWeight: 459.33302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C(=C1)CC=O)CC(=O)C2=CC(=CC=C2)OC)C3=CC(=CC=C3)OC.[Br-]

Isomeric SMILES

C[N+]1=C(N(C(=C1)CC=O)CC(=O)C2=CC(=CC=C2)OC)C3=CC(=CC=C3)OC.[Br-]

InChI

InChI=1S/C22H23N2O4.BrH/c1-23-14-18(10-11-25)24(22(23)17-7-5-9-20(13-17)28-3)15-21(26)16-6-4-8-19(12-16)27-2;/h4-9,11-14H,10,15H2,1-3H3;1H/q+1;/p-1