2-[2-azanyl-4-(4-ethoxyphenyl)-3-methyl-imidazol-1-ium-1-yl]-1-(4-bromophenyl)ethanone

Systemtic Name: 2-[2-azanyl-4-(4-ethoxyphenyl)-3-methyl-imidazol-1-ium-1-yl]-1-(4-bromophenyl)ethanone Openeye Name: 2-[2-amino-4-(4-ethoxyphenyl)-3-methyl-imidazol-1-ium-1-yl]-1-(4-bromophenyl)ethanone CAS Name: 2-[2-amino-4-(4-ethoxyphenyl)-3-methyl-1-imidazol-1-iumyl]-1-(4-bromophenyl)ethanone IUPAC Name: 2-[2-amino-4-(4-ethoxyphenyl)-3-methylimidazol-1-ium-1-yl]-1-(4-bromophenyl)ethanone Traditional Name: 2-(2-amino-3-methyl-4-p-phenetyl-imidazol-1-ium-1-yl)-1-(4-bromophenyl)ethanone Formula: C20H21BrN3O2+ MolecularWeight: 415.30364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C[N+](=C(N2C)N)CC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C[N+](=C(N2C)N)CC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H20BrN3O2/c1-3-26-17-10-6-14(7-11-17)18-12-24(20(22)23(18)2)13-19(25)15-4-8-16(21)9-5-15/h4-12,22H,3,13H2,1-2H3/p+1