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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=C(N=C1)C2=C3C(=CC=C2)[N+](C(=N3)CCC)(C)CC4=CC=C(C=C4)C5=CC=CC=C5C#N

Isomeric SMILES

CCCCCCN1C=C(N=C1)C2=C3C(=CC=C2)[N+](C(=N3)CCC)(C)CC4=CC=C(C=C4)C5=CC=CC=C5C#N

InChI

InChI=1S/C34H38N5/c1-4-6-7-10-21-38-23-31(36-25-38)30-15-11-16-32-34(30)37-33(12-5-2)39(32,3)24-26-17-19-27(20-18-26)29-14-9-8-13-28(29)22-35/h8-9,11,13-20,23,25H,4-7,10,12,21,24H2,1-3H3/q+1