4-(1-cycloheptylimidazol-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-cycloheptylimidazol-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: 4-(1-cycloheptylimidazol-4-yl)-1-methyl-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-2-propyl-benzimidazol-1-ium CAS Name: 4-(1-cycloheptyl-4-imidazolyl)-1-methyl-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-2-propylbenzimidazol-1-ium IUPAC Name: 4-(1-cycloheptylimidazol-4-yl)-1-methyl-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-2-propylbenzimidazol-1-ium Traditional Name: 4-(1-cycloheptylimidazol-4-yl)-1-methyl-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-2-propyl-benzimidazol-1-ium Formula: C35H39N8+ MolecularWeight: 571.73776

Click to see the large picture

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)C7CCCCCC7

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)C7CCCCCC7

InChI

InChI=1S/C35H39N8/c1-4-13-32-37-34-28(29-22-42(23-36-29)26-16-10-5-6-11-17-26)18-12-19-31(34)43(32,3)30-21-20-27(25-14-8-7-9-15-25)33(24(30)2)35-38-40-41-39-35/h7-9,12,14-15,18-23,26H,4-6,10-11,13,16-17H2,1-3H3,(H,38,39,40,41)/q+1