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

Systemtic Name: 1-ethyl-4-(1-methylbenzimidazol-2-yl)-1-[2-methyl-4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-2-propyl-benzimidazol-1-ium Openeye Name: 1-ethyl-4-(1-methylbenzimidazol-2-yl)-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-2-propyl-benzimidazol-1-ium CAS Name: 1-ethyl-4-(1-methyl-2-benzimidazolyl)-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-2-propylbenzimidazol-1-ium IUPAC Name: 1-ethyl-4-(1-methylbenzimidazol-2-yl)-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-2-propylbenzimidazol-1-ium Traditional Name: 1-ethyl-4-(1-methylbenzimidazol-2-yl)-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-2-propyl-benzimidazol-1-ium Formula: C34H33N8+ MolecularWeight: 553.67942

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(CC)C3=C(C(=C(C=C3)C4=CC=CC=C4)C5=NNN=N5)C)C6=NC7=CC=CC=C7N6C

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(CC)C3=C(C(=C(C=C3)C4=CC=CC=C4)C5=NNN=N5)C)C6=NC7=CC=CC=C7N6C

InChI

InChI=1S/C34H33N8/c1-5-13-30-36-32-25(34-35-26-17-10-11-18-27(26)41(34)4)16-12-19-29(32)42(30,6-2)28-21-20-24(23-14-8-7-9-15-23)31(22(28)3)33-37-39-40-38-33/h7-12,14-21H,5-6,13H2,1-4H3,(H,37,38,39,40)/q+1