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

Systemtic Name: 2-[4-[(1-methyl-2-propyl-4-pyridin-2-yl-benzimidazol-1-ium-1-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[1-methyl-2-propyl-4-(2-pyridyl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[1-methyl-2-propyl-4-(2-pyridinyl)-1-benzimidazol-1-iumyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(1-methyl-2-propyl-4-pyridin-2-ylbenzimidazol-1-ium-1-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[1-methyl-2-propyl-4-(2-pyridyl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile Formula: C30H27N4+ MolecularWeight: 443.56218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C5=CC=CC=N5

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C5=CC=CC=N5

InChI

InChI=1S/C30H27N4/c1-3-9-29-33-30-26(27-13-6-7-19-32-27)12-8-14-28(30)34(29,2)21-22-15-17-23(18-16-22)25-11-5-4-10-24(25)20-31/h4-8,10-19H,3,9,21H2,1-2H3/q+1