2-[2-(benzimidazol-1-yl)-5-(2-cyanophenyl)-1-hexyl-imidazol-1-ium-1-yl]ethanoate

Systemtic Name: 2-[2-(benzimidazol-1-yl)-5-(2-cyanophenyl)-1-hexyl-imidazol-1-ium-1-yl]ethanoate Openeye Name: 2-[2-(benzimidazol-1-yl)-5-(2-cyanophenyl)-1-hexyl-imidazol-1-ium-1-yl]acetate CAS Name: 2-[2-(1-benzimidazolyl)-5-(2-cyanophenyl)-1-hexyl-1-imidazol-1-iumyl]acetate IUPAC Name: 2-[2-(benzimidazol-1-yl)-5-(2-cyanophenyl)-1-hexylimidazol-1-ium-1-yl]acetate Traditional Name: 2-[2-(benzimidazol-1-yl)-5-(2-cyanophenyl)-1-hexyl-imidazol-1-ium-1-yl]acetate Formula: C25H25N5O2 MolecularWeight: 427.4983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1(C(=CN=C1N2C=NC3=CC=CC=C32)C4=CC=CC=C4C#N)CC(=O)[O-]

Isomeric SMILES

CCCCCC[N+]1(C(=CN=C1N2C=NC3=CC=CC=C32)C4=CC=CC=C4C#N)CC(=O)[O-]

InChI

InChI=1S/C25H25N5O2/c1-2-3-4-9-14-30(17-24(31)32)23(20-11-6-5-10-19(20)15-26)16-27-25(30)29-18-28-21-12-7-8-13-22(21)29/h5-8,10-13,16,18H,2-4,9,14,17H2,1H3