4-(1-heptan-4-ylimidazol-4-yl)-1-methyl-1-[2-methyl-4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-2-propyl-benzimidazol-1-ium

Systemtic Name: 4-(1-heptan-4-ylimidazol-4-yl)-1-methyl-1-[2-methyl-4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-2-propyl-benzimidazol-1-ium Openeye Name: 1-methyl-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-2-propyl-4-[1-(1-propylbutyl)imidazol-4-yl]benzimidazol-1-ium CAS Name: 4-(1-heptan-4-yl-4-imidazolyl)-1-methyl-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-2-propylbenzimidazol-1-ium IUPAC Name: 4-(1-heptan-4-ylimidazol-4-yl)-1-methyl-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-2-propylbenzimidazol-1-ium Traditional Name: 1-methyl-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-2-propyl-4-[1-(1-propylbutyl)imidazol-4-yl]benzimidazol-1-ium Formula: C35H41N8+ MolecularWeight: 573.75364

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(C)C3=C(C(=C(C=C3)C4=CC=CC=C4)C5=NNN=N5)C)C6=CN(C=N6)C(CCC)CCC

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)C3=C(C(=C(C=C3)C4=CC=CC=C4)C5=NNN=N5)C)C6=CN(C=N6)C(CCC)CCC

InChI

InChI=1S/C35H41N8/c1-6-13-26(14-7-2)42-22-29(36-23-42)28-18-12-19-31-34(28)37-32(15-8-3)43(31,5)30-21-20-27(25-16-10-9-11-17-25)33(24(30)4)35-38-40-41-39-35/h9-12,16-23,26H,6-8,13-15H2,1-5H3,(H,38,39,40,41)/q+1