1-methyl-1-[2-methyl-4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-4-(1-propan-2-ylimidazol-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-propan-2-ylimidazol-4-yl)-2-propyl-benzimidazol-1-ium Openeye Name: 4-(1-isopropylimidazol-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-propan-2-yl-4-imidazolyl)-2-propylbenzimidazol-1-ium IUPAC Name: 1-methyl-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-4-(1-propan-2-ylimidazol-4-yl)-2-propylbenzimidazol-1-ium Traditional Name: 4-(1-isopropylimidazol-4-yl)-1-methyl-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-2-propyl-benzimidazol-1-ium Formula: C31H33N8+ MolecularWeight: 517.64732

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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(C)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(C)C

InChI

InChI=1S/C31H33N8/c1-6-11-28-33-30-24(25-18-38(19-32-25)20(2)3)14-10-15-27(30)39(28,5)26-17-16-23(22-12-8-7-9-13-22)29(21(26)4)31-34-36-37-35-31/h7-10,12-20H,6,11H2,1-5H3,(H,34,35,36,37)/q+1