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

Systemtic Name: 1-methyl-1-[2-methyl-4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-4-[1-(phenylmethyl)imidazol-4-yl]-2-propyl-benzimidazol-1-ium Openeye Name: 4-(1-benzylimidazol-4-yl)-1-methyl-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-2-propyl-benzimidazol-1-ium CAS Name: 1-methyl-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-4-[1-(phenylmethyl)-4-imidazolyl]-2-propylbenzimidazol-1-ium IUPAC Name: 4-(1-benzylimidazol-4-yl)-1-methyl-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-2-propylbenzimidazol-1-ium Traditional Name: 4-(1-benzylimidazol-4-yl)-1-methyl-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-2-propyl-benzimidazol-1-ium Formula: C35H33N8+ MolecularWeight: 565.69012

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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)CC7=CC=CC=C7

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)CC7=CC=CC=C7

InChI

InChI=1S/C35H33N8/c1-4-12-32-37-34-28(29-22-42(23-36-29)21-25-13-7-5-8-14-25)17-11-18-31(34)43(32,3)30-20-19-27(26-15-9-6-10-16-26)33(24(30)2)35-38-40-41-39-35/h5-11,13-20,22-23H,4,12,21H2,1-3H3,(H,38,39,40,41)/q+1