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

Systemtic Name: 2-[2-[1-[5-(2-cyanophenyl)benzimidazol-1-yl]hexyl]-1-ethyl-imidazol-1-ium-1-yl]ethanoate Openeye Name: 2-[2-[1-[5-(2-cyanophenyl)benzimidazol-1-yl]hexyl]-1-ethyl-imidazol-1-ium-1-yl]acetate CAS Name: 2-[2-[1-[5-(2-cyanophenyl)-1-benzimidazolyl]hexyl]-1-ethyl-1-imidazol-1-iumyl]acetate IUPAC Name: 2-[2-[1-[5-(2-cyanophenyl)benzimidazol-1-yl]hexyl]-1-ethylimidazol-1-ium-1-yl]acetate Traditional Name: 2-[2-[1-[5-(2-cyanophenyl)benzimidazol-1-yl]hexyl]-1-ethyl-imidazol-1-ium-1-yl]acetate Formula: C27H29N5O2 MolecularWeight: 455.55146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=NC=C[N+]1(CC)CC(=O)[O-])N2C=NC3=C2C=CC(=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CCCCCC(C1=NC=C[N+]1(CC)CC(=O)[O-])N2C=NC3=C2C=CC(=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C27H29N5O2/c1-3-5-6-11-25(27-29-14-15-32(27,4-2)18-26(33)34)31-19-30-23-16-20(12-13-24(23)31)22-10-8-7-9-21(22)17-28/h7-10,12-16,19,25H,3-6,11,18H2,1-2H3