2-(3-methylbenzimidazol-3-ium-1-yl)ethanenitrile

Systemtic Name: 2-(3-methylbenzimidazol-3-ium-1-yl)ethanenitrile Openeye Name: 2-(3-methylbenzimidazol-3-ium-1-yl)acetonitrile CAS Name: 2-(3-methyl-1-benzimidazol-3-iumyl)acetonitrile IUPAC Name: 2-(3-methylbenzimidazol-3-ium-1-yl)acetonitrile Traditional Name: 2-(3-methylbenzimidazol-3-ium-1-yl)acetonitrile Formula: C10H10N3+ MolecularWeight: 172.2065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N3/c1-12-8-13(7-6-11)10-5-3-2-4-9(10)12/h2-5,8H,7H2,1H3/q+1