4-[(3-methylbenzimidazol-3-ium-1-yl)methyl]benzenecarbonitrile chloride

Systemtic Name: 4-[(3-methylbenzimidazol-3-ium-1-yl)methyl]benzenecarbonitrile chloride Openeye Name: 4-[(3-methylbenzimidazol-3-ium-1-yl)methyl]benzonitrile chloride CAS Name: 4-[(3-methyl-1-benzimidazol-3-iumyl)methyl]benzonitrile chloride IUPAC Name: 4-[(3-methylbenzimidazol-3-ium-1-yl)methyl]benzonitrile chloride Traditional Name: 4-[(3-methylbenzimidazol-3-ium-1-yl)methyl]benzonitrile chloride Formula: C16H14ClN3 MolecularWeight: 283.75546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)C#N.[Cl-]

Isomeric SMILES

C[N+]1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)C#N.[Cl-]

InChI

InChI=1S/C16H14N3.ClH/c1-18-12-19(16-5-3-2-4-15(16)18)11-14-8-6-13(10-17)7-9-14;/h2-9,12H,11H2,1H3;1H/q+1;/p-1