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

Systemtic Name: 1-methyl-4-(1-methylbenzimidazol-2-yl)-1-[[2-phenyl-1-(2H-1,2,3,4-tetrazol-5-ylmethyl)benzimidazol-5-yl]methyl]-2-propyl-benzimidazol-1-ium Openeye Name: 1-methyl-4-(1-methylbenzimidazol-2-yl)-1-[[2-phenyl-1-(2H-tetrazol-5-ylmethyl)benzimidazol-5-yl]methyl]-2-propyl-benzimidazol-1-ium CAS Name: 1-methyl-4-(1-methyl-2-benzimidazolyl)-1-[[2-phenyl-1-(2H-tetrazol-5-ylmethyl)-5-benzimidazolyl]methyl]-2-propylbenzimidazol-1-ium IUPAC Name: 1-methyl-4-(1-methylbenzimidazol-2-yl)-1-[[2-phenyl-1-(2H-tetrazol-5-ylmethyl)benzimidazol-5-yl]methyl]-2-propylbenzimidazol-1-ium Traditional Name: 1-methyl-4-(1-methylbenzimidazol-2-yl)-1-[[2-phenyl-1-(2H-tetrazol-5-ylmethyl)benzimidazol-5-yl]methyl]-2-propyl-benzimidazol-1-ium Formula: C35H33N10+ MolecularWeight: 593.70352

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC4=C(C=C3)N(C(=N4)C5=CC=CC=C5)CC6=NNN=N6)C7=NC8=CC=CC=C8N7C

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC4=C(C=C3)N(C(=N4)C5=CC=CC=C5)CC6=NNN=N6)C7=NC8=CC=CC=C8N7C

InChI

InChI=1S/C35H33N10/c1-4-11-32-38-33-25(35-36-26-15-8-9-16-28(26)43(35)2)14-10-17-30(33)45(32,3)22-23-18-19-29-27(20-23)37-34(24-12-6-5-7-13-24)44(29)21-31-39-41-42-40-31/h5-10,12-20H,4,11,21-22H2,1-3H3,(H,39,40,41,42)/q+1