methyl 2-[4-(phenylmethyl)imidazo[1,2-a]benzimidazol-3-ium-3-yl]ethanoate bromide

Systemtic Name: methyl 2-[4-(phenylmethyl)imidazo[1,2-a]benzimidazol-3-ium-3-yl]ethanoate bromide Openeye Name: methyl 2-(4-benzylimidazo[1,2-a]benzimidazol-3-ium-3-yl)acetate bromide CAS Name: 2-[4-(phenylmethyl)-3-imidazo[1,2-a]benzimidazol-3-iumyl]acetic acid methyl ester bromide IUPAC Name: methyl 2-(4-benzylimidazo[1,2-a]benzimidazol-3-ium-3-yl)acetate bromide Traditional Name: 2-(4-benzylimidazo[1,2-a]benzimidazol-3-ium-3-yl)acetic acid methyl ester bromide Formula: C19H18BrN3O2 MolecularWeight: 400.26912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[N+]1=C2N(C=C1)C3=CC=CC=C3N2CC4=CC=CC=C4.[Br-]

Isomeric SMILES

COC(=O)C[N+]1=C2N(C=C1)C3=CC=CC=C3N2CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C19H18N3O2.BrH/c1-24-18(23)14-20-11-12-21-16-9-5-6-10-17(16)22(19(20)21)13-15-7-3-2-4-8-15;/h2-12H,13-14H2,1H3;1H/q+1;/p-1