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

Systemtic Name: 2-[4-[[1-methyl-4-[1-(phenylmethyl)imidazol-4-yl]-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-(1-benzylimidazol-4-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[1-methyl-4-[1-(phenylmethyl)-4-imidazolyl]-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-(1-benzylimidazol-4-yl)-1-methyl-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[4-(1-benzylimidazol-4-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile Formula: C35H32N5+ MolecularWeight: 522.66208

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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=CN(C=N5)CC6=CC=CC=C6

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C5=CN(C=N5)CC6=CC=CC=C6

InChI

InChI=1S/C35H32N5/c1-3-10-34-38-35-31(32-23-39(25-37-32)22-26-11-5-4-6-12-26)15-9-16-33(35)40(34,2)24-27-17-19-28(20-18-27)30-14-8-7-13-29(30)21-36/h4-9,11-20,23,25H,3,10,22,24H2,1-2H3/q+1