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

Systemtic Name: 4-[(3-methylbenzimidazol-3-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(3-methylbenzimidazol-3-ium-1-yl)methyl]benzonitrile CAS Name: 4-[(3-methyl-1-benzimidazol-3-iumyl)methyl]benzonitrile IUPAC Name: 4-[(3-methylbenzimidazol-3-ium-1-yl)methyl]benzonitrile Traditional Name: 4-[(3-methylbenzimidazol-3-ium-1-yl)methyl]benzonitrile Formula: C16H14N3+ MolecularWeight: 248.30246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N3/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/q+1