4-(1-ethylimidazol-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-ethylimidazol-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-ethylimidazol-4-yl)-1-methyl-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-2-propyl-benzimidazol-1-ium CAS Name: 4-(1-ethyl-4-imidazolyl)-1-methyl-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-2-propylbenzimidazol-1-ium IUPAC Name: 4-(1-ethylimidazol-4-yl)-1-methyl-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-2-propylbenzimidazol-1-ium Traditional Name: 4-(1-ethylimidazol-4-yl)-1-methyl-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-2-propyl-benzimidazol-1-ium Formula: C30H31N8+ MolecularWeight: 503.62074

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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)CC

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)CC

InChI

InChI=1S/C30H31N8/c1-5-11-27-32-29-23(24-18-37(6-2)19-31-24)14-10-15-26(29)38(27,4)25-17-16-22(21-12-8-7-9-13-21)28(20(25)3)30-33-35-36-34-30/h7-10,12-19H,5-6,11H2,1-4H3,(H,33,34,35,36)/q+1