3-[4-(1-hexylimidazol-4-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzenecarbonitrile

Systemtic Name: 3-[4-(1-hexylimidazol-4-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzenecarbonitrile Openeye Name: 3-[4-(1-hexylimidazol-4-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzonitrile CAS Name: 3-[4-(1-hexyl-4-imidazolyl)-1-methyl-2-propyl-1-benzimidazol-1-iumyl]-2-methyl-6-phenylbenzonitrile IUPAC Name: 3-[4-(1-hexylimidazol-4-yl)-1-methyl-2-propylbenzimidazol-1-ium-1-yl]-2-methyl-6-phenylbenzonitrile Traditional Name: 3-[4-(1-hexylimidazol-4-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]-2-methyl-6-phenyl-benzonitrile Formula: C34H38N5+ MolecularWeight: 516.69902

Click to see the large picture

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)C#N)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)C#N)C

InChI

InChI=1S/C34H38N5/c1-5-7-8-12-21-38-23-30(36-24-38)28-17-13-18-32-34(28)37-33(14-6-2)39(32,4)31-20-19-27(29(22-35)25(31)3)26-15-10-9-11-16-26/h9-11,13,15-20,23-24H,5-8,12,14,21H2,1-4H3/q+1