4-(1-hexylimidazol-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-hexylimidazol-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-hexylimidazol-4-yl)-1-methyl-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-2-propyl-benzimidazol-1-ium CAS Name: 4-(1-hexyl-4-imidazolyl)-1-methyl-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-2-propylbenzimidazol-1-ium IUPAC Name: 4-(1-hexylimidazol-4-yl)-1-methyl-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-2-propylbenzimidazol-1-ium Traditional Name: 4-(1-hexylimidazol-4-yl)-1-methyl-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-2-propyl-benzimidazol-1-ium Formula: C34H39N8+ MolecularWeight: 559.72706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=C(N=C1)C2=C3C(=CC=C2)[N+](C(=N3)CCC)(C)C4=C(C(=C(C=C4)C5=CC=CC=C5)C6=NNN=N6)C

Isomeric SMILES

CCCCCCN1C=C(N=C1)C2=C3C(=CC=C2)[N+](C(=N3)CCC)(C)C4=C(C(=C(C=C4)C5=CC=CC=C5)C6=NNN=N6)C

InChI

InChI=1S/C34H39N8/c1-5-7-8-12-21-41-22-28(35-23-41)27-17-13-18-30-33(27)36-31(14-6-2)42(30,4)29-20-19-26(25-15-10-9-11-16-25)32(24(29)3)34-37-39-40-38-34/h9-11,13,15-20,22-23H,5-8,12,14,21H2,1-4H3,(H,37,38,39,40)/q+1