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

Systemtic Name: ethyl 2-[4-(phenylmethyl)imidazo[1,2-a]benzimidazol-3-ium-3-yl]ethanoate bromide Openeye Name: ethyl 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 ethyl ester bromide IUPAC Name: ethyl 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 ethyl ester bromide Formula: C20H20BrN3O2 MolecularWeight: 414.2957

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N3O2.BrH/c1-2-25-19(24)15-21-12-13-22-17-10-6-7-11-18(17)23(20(21)22)14-16-8-4-3-5-9-16;/h3-13H,2,14-15H2,1H3;1H/q+1;/p-1