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

Systemtic Name: 1-methyl-4-(1-methylimidazol-4-yl)-1-[2-methyl-4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-2-propyl-benzimidazol-1-ium Openeye Name: 1-methyl-4-(1-methylimidazol-4-yl)-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-2-propyl-benzimidazol-1-ium CAS Name: 1-methyl-4-(1-methyl-4-imidazolyl)-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-2-propylbenzimidazol-1-ium IUPAC Name: 1-methyl-4-(1-methylimidazol-4-yl)-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-2-propylbenzimidazol-1-ium Traditional Name: 1-methyl-4-(1-methylimidazol-4-yl)-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-2-propyl-benzimidazol-1-ium Formula: C29H29N8+ MolecularWeight: 489.59416

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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

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

InChI

InChI=1S/C29H29N8/c1-5-10-26-31-28-22(23-17-36(3)18-30-23)13-9-14-25(28)37(26,4)24-16-15-21(20-11-7-6-8-12-20)27(19(24)2)29-32-34-35-33-29/h6-9,11-18H,5,10H2,1-4H3,(H,32,33,34,35)/q+1