1-(2-imidazol-1-yloctan-3-yl)-1-[3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]benzimidazol-1-ium

Systemtic Name: 1-(2-imidazol-1-yloctan-3-yl)-1-[3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]benzimidazol-1-ium Openeye Name: 1-[1-(1-imidazol-1-ylethyl)hexyl]-1-[3-(2H-tetrazol-5-yl)phenyl]benzimidazol-1-ium CAS Name: 1-[2-(1-imidazolyl)octan-3-yl]-1-[3-(2H-tetrazol-5-yl)phenyl]benzimidazol-1-ium IUPAC Name: 1-(2-imidazol-1-yloctan-3-yl)-1-[3-(2H-tetrazol-5-yl)phenyl]benzimidazol-1-ium Traditional Name: 1-[1-(1-imidazol-1-ylethyl)hexyl]-1-[3-(2H-tetrazol-5-yl)phenyl]benzimidazol-1-ium Formula: C25H29N8+ MolecularWeight: 441.55136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C)N1C=CN=C1)[N+]2(C=NC3=CC=CC=C32)C4=CC=CC(=C4)C5=NNN=N5

Isomeric SMILES

CCCCCC(C(C)N1C=CN=C1)[N+]2(C=NC3=CC=CC=C32)C4=CC=CC(=C4)C5=NNN=N5

InChI

InChI=1S/C25H29N8/c1-3-4-5-12-23(19(2)32-15-14-26-17-32)33(18-27-22-11-6-7-13-24(22)33)21-10-8-9-20(16-21)25-28-30-31-29-25/h6-11,13-19,23H,3-5,12H2,1-2H3,(H,28,29,30,31)/q+1